Details of the Drug

General Information of Drug (ID: DMKA8J4)

Drug Name
Etonogestrel
Synonyms
Etonogestrelum; Implanon; Implanon (TN); NuvaRing (TN); Etonogestrel (USAN/INN); (8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one; 17alpha-ethynyl-17beta-hydroxy-11-methylidene-18a-homo-estr-4-en-3-one; 3-Ketodesogestrel; 3-Oxodesogestrel
Indication
Disease Entry ICD 11 Status REF
Contraception QA21 Approved [1]
Therapeutic Class
Contraceptive Agents
Affected Organisms
Humans and other mammals
ATC Code
G03AC08: Etonogestrel
G03AC: Progestogens
G03A: HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
G03: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G: GENITO URINARY SYSTEM AND SEX HORMONES
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 324.5
Logarithm of the Partition Coefficient (xlogp) 3.3
Rotatable Bond Count (rotbonds) 2
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 2
ADMET Property
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Bioavailability
76% of drug becomes completely available to its intended biological destination(s) [3]
Clearance
The clearance of drug is 7.5 L/h [4]
Elimination
0.1% of drug is excreted from urine in the unchanged form [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 25 hours [5]
Metabolism
The drug is metabolized via the liver [5]
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.00805 micromolar/kg/day [6]
Unbound Fraction
The unbound fraction of drug in plasma is 0.02% [7]
Vd
The volume of distribution (Vd) of drug is 201 L [4]
Water Solubility
The ability of drug to dissolve in water is measured as 0.51 mg/mL [2]
Chemical Identifiers
Formula
C22H28O2
IUPAC Name
(8S,9S,10R,13S,14S,17R)-13-ethyl-17-ethynyl-17-hydroxy-11-methylidene-2,6,7,8,9,10,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one
Canonical SMILES
CC[C@]12CC(=C)[C@H]3[C@H]([C@@H]1CC[C@]2(C#C)O)CCC4=CC(=O)CC[C@H]34
InChI
InChI=1S/C22H28O2/c1-4-21-13-14(3)20-17-9-7-16(23)12-15(17)6-8-18(20)19(21)10-11-22(21,24)5-2/h2,12,17-20,24H,3-4,6-11,13H2,1H3/t17-,18-,19-,20+,21-,22-/m0/s1
InChIKey
GCKFUYQCUCGESZ-BPIQYHPVSA-N
Cross-matching ID
PubChem CID
6917715
ChEBI ID
CHEBI:50777
CAS Number
54048-10-1
UNII
304GTH6RNH
DrugBank ID
DB00294
TTD ID
D02KIU
INTEDE ID
DR0667
Combinatorial Drugs (CBD) Click to Jump to the Detailed CBD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Progesterone receptor (PGR) TTUV8G9 PRGR_HUMAN Binder [8]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [9]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Contraception
ICD Disease Classification QA21
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Progesterone receptor (PGR) DTT PGR 3.26E-38 -3.79 -2.5
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 2.20E-02 -1.08E-01 -2.31E-01
Molecular Expression Atlas (MEA) Jump to Detail Molecular Expression Atlas of This Drug

Drug-Drug Interaction (DDI) Information of This Drug

Coadministration of a Drug Treating the Disease Different from Etonogestrel (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Metreleptin DM1NOEK Moderate Decreased metabolism of Etonogestrel caused by Metreleptin mediated inhibition of CYP450 enzyme. Acute diabete complication [5A2Y] [10]
Pioglitazone DMKJ485 Minor Increased metabolism of Etonogestrel caused by Pioglitazone mediated induction of CYP450 enzyme. Acute diabete complication [5A2Y] [11]
Ivosidenib DM8S6T7 Moderate Increased metabolism of Etonogestrel caused by Ivosidenib mediated induction of CYP450 enzyme. Acute myeloid leukaemia [2A60] [12]
Arn-509 DMT81LZ Moderate Increased metabolism of Etonogestrel caused by Arn-509 mediated induction of CYP450 enzyme. Acute myeloid leukaemia [2A60] [13]
Emapalumab DMZG5WL Moderate Altered metabolism of Etonogestrel due to Emapalumab alters the formation of CYP450 enzymes. Adaptive immunity immunodeficiency [4A01] [14]
Mitotane DMU1GX0 Moderate Increased metabolism of Etonogestrel caused by Mitotane mediated induction of CYP450 enzyme. Adrenal cancer [2D11] [13]
Siltuximab DMGEATB Moderate Altered metabolism of Etonogestrel due to Siltuximab alters the formation of CYP450 enzymes. Anemia [3A00-3A9Z] [14]
Dronedarone DMA8FS5 Moderate Decreased metabolism of Etonogestrel caused by Dronedarone mediated inhibition of CYP450 enzyme. Angina pectoris [BA40] [15]
Methylphenobarbital DMDSWAG Moderate Increased metabolism of Etonogestrel caused by Methylphenobarbital mediated induction of CYP450 enzyme. Anxiety disorder [6B00-6B0Z] [16]
Clobazam - Lundbeck DMW1OQ0 Moderate Increased metabolism of Etonogestrel caused by Clobazam - Lundbeck mediated induction of CYP450 enzyme. Anxiety disorder [6B00-6B0Z] [17]
Voriconazole DMAOL2S Moderate Decreased metabolism of Etonogestrel caused by Voriconazole mediated inhibition of CYP450 enzyme. Aspergillosis [1F20] [18]
Posaconazole DMUL5EW Moderate Decreased metabolism of Etonogestrel caused by Posaconazole mediated inhibition of CYP450 enzyme. Aspergillosis [1F20] [18]
Aminophylline DML2NIB Moderate Decreased metabolism of Etonogestrel caused by Aminophylline. Asthma [CA23] [19]
Clarithromycin DM4M1SG Moderate Decreased metabolism of Etonogestrel caused by Clarithromycin mediated inhibition of CYP450 enzyme. Bacterial infection [1A00-1C4Z] [20]
Telithromycin DMZ4P3A Moderate Decreased metabolism of Etonogestrel caused by Telithromycin mediated inhibition of CYP450 enzyme. Bacterial infection [1A00-1C4Z] [21]
Ag-221 DMS0ZBI Moderate Increased metabolism of Etonogestrel caused by Ag-221 mediated induction of CYP450 enzyme. BCR-ABL1-negative chronic myeloid leukaemia [2A41] [22]
Pexidartinib DMS2J0Z Major Increased metabolism of Etonogestrel caused by Pexidartinib mediated induction of CYP450 enzyme. Bone/articular cartilage neoplasm [2F7B] [23]
Lapatinib DM3BH1Y Moderate Decreased metabolism of Etonogestrel caused by Lapatinib mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [24]
Tucatinib DMBESUA Moderate Decreased metabolism of Etonogestrel caused by Tucatinib mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [25]
Atorvastatin DMF28YC Minor Decreased metabolism of Etonogestrel caused by Atorvastatin mediated inhibition of CYP450 enzyme. Cardiovascular disease [BA00-BE2Z] [26]
Secobarbital DM14RF5 Moderate Increased metabolism of Etonogestrel caused by Secobarbital mediated induction of CYP450 enzyme. Chronic insomnia [7A00] [13]
Phenylbutazone DMAYL0T Moderate Increased metabolism of Etonogestrel caused by Phenylbutazone mediated induction of CYP450 enzyme. Chronic pain [MG30] [17]
Oxtriphylline DMLHSE3 Moderate Decreased metabolism of Etonogestrel caused by Oxtriphylline. Cough [MD12] [19]
Aminoglutethimide DMWFHMZ Moderate Increased metabolism of Etonogestrel caused by Aminoglutethimide mediated induction of CYP450 enzyme. Cushing syndrome [5A70] [13]
Lumacaftor DMCLWDJ Major Increased metabolism of Etonogestrel caused by Lumacaftor mediated induction of CYP450 enzyme. Cystic fibrosis [CA25] [14]
Ivacaftor DMZC1HS Moderate Decreased metabolism of Etonogestrel caused by Ivacaftor mediated inhibition of CYP450 enzyme. Cystic fibrosis [CA25] [27]
MK-8228 DMOB58Q Moderate Decreased metabolism of Etonogestrel caused by MK-8228 mediated inhibition of CYP450 enzyme. Cytomegaloviral disease [1D82] [20]
Aprepitant DM053KT Moderate Increased metabolism of Etonogestrel caused by Aprepitant mediated induction of CYP450 enzyme. Depression [6A70-6A7Z] [17]
Nefazodone DM4ZS8M Moderate Decreased metabolism of Etonogestrel caused by Nefazodone mediated inhibition of CYP450 enzyme. Depression [6A70-6A7Z] [28]
Griseofulvin DMK54YG Major Increased metabolism of Etonogestrel caused by Griseofulvin mediated induction of CYP450 enzyme. Dermatophytosis [1F28] [29]
Primidone DM0WX6I Major Increased metabolism of Etonogestrel caused by Primidone mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [13]
Felbamate DM1V5ZS Major Increased metabolism of Etonogestrel caused by Felbamate mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [13]
Oxcarbazepine DM5PU6O Major Increased metabolism of Etonogestrel caused by Oxcarbazepine mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [13]
Cenobamate DM8KLU9 Moderate Increased metabolism of Etonogestrel caused by Cenobamate mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [13]
Stiripentol DMMSDOY Moderate Decreased metabolism of Etonogestrel caused by Stiripentol mediated inhibition of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [30]
Fosphenytoin DMOX3LB Major Increased metabolism of Etonogestrel caused by Fosphenytoin mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [13]
Brivaracetam DMSEPK8 Minor Increased metabolism of Etonogestrel caused by Brivaracetam mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [14]
Rufinamide DMWE60C Moderate Increased metabolism of Etonogestrel caused by Rufinamide mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [20]
Phenobarbital DMXZOCG Major Increased metabolism of Etonogestrel caused by Phenobarbital mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [13]
Carbamazepine DMZOLBI Major Increased metabolism of Etonogestrel caused by Carbamazepine mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [13]
Eslicarbazepine DMZREFQ Major Increased metabolism of Etonogestrel caused by Eslicarbazepine mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [13]
Tazemetostat DMWP1BH Moderate Increased metabolism of Etonogestrel caused by Tazemetostat mediated induction of CYP450 enzyme. Follicular lymphoma [2A80] [31]
Itraconazole DMCR1MV Moderate Decreased metabolism of Etonogestrel caused by Itraconazole mediated inhibition of CYP450 enzyme. Fungal infection [1F29-1F2F] [18]
Miconazole DMPMYE8 Moderate Decreased metabolism of Etonogestrel caused by Miconazole mediated inhibition of CYP450 enzyme. Fungal infection [1F29-1F2F] [18]
Ketoconazole DMPZI3Q Moderate Decreased metabolism of Etonogestrel caused by Ketoconazole mediated inhibition of CYP450 enzyme. Fungal infection [1F29-1F2F] [18]
Sulfinpyrazone DMEV954 Moderate Increased metabolism of Etonogestrel caused by Sulfinpyrazone mediated induction of CYP450 enzyme. Gout [FA25] [13]
Boceprevir DMBSHMF Major Increased metabolism of Etonogestrel caused by Boceprevir mediated induction of CYP450 enzyme. Hepatitis virus infection [1E50-1E51] [17]
Telaprevir DMMRV29 Major Increased metabolism of Etonogestrel caused by Telaprevir mediated induction of CYP450 enzyme. Hepatitis virus infection [1E50-1E51] [17]
Rifampin DMA8J1G Major Increased metabolism of Etonogestrel caused by Rifampin mediated induction of CYP450 enzyme. HIV-infected patients with tuberculosis [1B10-1B14] [32]
Rifapentine DMCHV4I Major Increased metabolism of Etonogestrel caused by Rifapentine mediated induction of CYP450 enzyme. HIV-infected patients with tuberculosis [1B10-1B14] [33]
Efavirenz DMC0GSJ Moderate Increased metabolism of Etonogestrel caused by Efavirenz mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [14]
Saquinavir DMG814N Moderate Decreased metabolism of Etonogestrel caused by Saquinavir mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [34]
Darunavir DMN3GCH Moderate Decreased metabolism of Etonogestrel caused by Darunavir mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [35]
Atazanavir DMSYRBX Moderate Decreased metabolism of Etonogestrel caused by Atazanavir mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [36]
Conivaptan DM1V329 Moderate Decreased metabolism of Etonogestrel caused by Conivaptan mediated inhibition of CYP450 enzyme. Hypo-osmolality/hyponatraemia [5C72] [37]
Lesinurad DMUR64T Moderate Increased metabolism of Etonogestrel caused by Lesinurad mediated induction of CYP450 enzyme. Inborn purine/pyrimidine/nucleotide metabolism error [5C55] [38]
Berotralstat DMWA2DZ Moderate Decreased metabolism of Etonogestrel caused by Berotralstat mediated inhibition of CYP450 enzyme. Innate/adaptive immunodeficiency [4A00] [39]
Amobarbital DM0GQ8N Moderate Increased metabolism of Etonogestrel caused by Amobarbital mediated induction of CYP450 enzyme. Insomnia [7A00-7A0Z] [13]
Pentobarbital DMFNH7L Moderate Increased metabolism of Etonogestrel caused by Pentobarbital mediated induction of CYP450 enzyme. Insomnia [7A00-7A0Z] [13]
Linaclotide DM4EGV0 Moderate Altered absorption of Etonogestrel caused by Linaclotide. Irritable bowel syndrome [DD91] [14]
Glycerol phenylbutyrate DMDGRQO Moderate Increased metabolism of Etonogestrel caused by Glycerol phenylbutyrate mediated induction of CYP450 enzyme. Liver disease [DB90-DB9Z] [14]
Brigatinib DM7W94S Major Increased metabolism of Etonogestrel caused by Brigatinib mediated induction of CYP450 enzyme. Lung cancer [2C25] [40]
PF-06463922 DMKM7EW Moderate Increased metabolism of Etonogestrel caused by PF-06463922 mediated induction of CYP450 enzyme. Lung cancer [2C25] [13]
Selpercatinib DMZR15V Moderate Decreased metabolism of Etonogestrel caused by Selpercatinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [14]
Artemether DM48QOT Moderate Increased metabolism of Etonogestrel caused by Artemether mediated induction of CYP450 enzyme. Malaria [1F40-1F45] [41]
IPI-145 DMWA24P Moderate Decreased metabolism of Etonogestrel caused by IPI-145 mediated inhibition of CYP450 enzyme. Mature B-cell leukaemia [2A82] [42]
Vemurafenib DM62UG5 Moderate Increased metabolism of Etonogestrel caused by Vemurafenib mediated induction of CYP450 enzyme. Melanoma [2C30] [13]
LGX818 DMNQXV8 Major Increased metabolism of Etonogestrel caused by LGX818 mediated induction of CYP450 enzyme. Melanoma [2C30] [43]
Dabrafenib DMX6OE3 Major Increased metabolism of Etonogestrel caused by Dabrafenib mediated induction of CYP450 enzyme. Melanoma [2C30] [17]
Exjade DMHPRWG Moderate Increased metabolism of Etonogestrel caused by Exjade mediated induction of CYP450 enzyme. Mineral absorption/transport disorder [5C64] [44]
Carfilzomib DM48K0X Major Additive thrombogenic effects by the combination of Etonogestrel and Carfilzomib. Multiple myeloma [2A83] [14]
Rifabutin DM1YBHK Major Increased metabolism of Etonogestrel caused by Rifabutin mediated induction of CYP450 enzyme. Mycobacterium infection [1B10-1B21] [33]
Bexarotene DMOBIKY Major Increased metabolism of Etonogestrel caused by Bexarotene mediated induction of CYP450 enzyme. Mycosis fungoides [2B01] [17]
Fedratinib DM4ZBK6 Moderate Decreased metabolism of Etonogestrel caused by Fedratinib mediated inhibition of CYP450 enzyme. Myeloproliferative neoplasm [2A20] [14]
Nilotinib DM7HXWT Moderate Decreased metabolism of Etonogestrel caused by Nilotinib mediated inhibition of CYP450 enzyme. Myeloproliferative neoplasm [2A20] [45]
Dasatinib DMJV2EK Moderate Decreased metabolism of Etonogestrel caused by Dasatinib mediated inhibition of CYP450 enzyme. Myeloproliferative neoplasm [2A20] [46]
Modafinil DMYILBE Moderate Increased metabolism of Etonogestrel caused by Modafinil mediated induction of CYP450 enzyme. Narcolepsy [7A20] [20]
E-2007 DMJDYNQ Moderate Increased metabolism of Etonogestrel caused by E-2007 mediated induction of CYP450 enzyme. Neuropathy [8C0Z] [20]
Olaparib DM8QB1D Moderate Increased metabolism of Etonogestrel caused by Olaparib mediated induction of CYP450 enzyme. Ovarian cancer [2C73] [14]
Rucaparib DM9PVX8 Moderate Decreased metabolism of Etonogestrel caused by Rucaparib mediated inhibition of CYP450 enzyme. Ovarian cancer [2C73] [47]
Abametapir DM2RX0I Moderate Decreased metabolism of Etonogestrel caused by Abametapir mediated inhibition of CYP450 enzyme. Pediculosis [1G00] [48]
Lefamulin DME6G97 Moderate Decreased metabolism of Etonogestrel caused by Lefamulin mediated inhibition of CYP450 enzyme. Pneumonia [CA40] [49]
Lonafarnib DMGM2Z6 Moderate Decreased metabolism of Etonogestrel caused by Lonafarnib mediated inhibition of CYP450 enzyme. Premature ageing appearance [LD2B] [50]
Enzalutamide DMGL19D Moderate Increased metabolism of Etonogestrel caused by Enzalutamide mediated induction of CYP450 enzyme. Prostate cancer [2C82] [13]
Ustekinumab DMHTYK3 Moderate Altered metabolism of Etonogestrel due to Ustekinumab alters the formation of CYP450 enzymes. Psoriasis [EA90] [14]
Ixekizumab DMXW92T Moderate Altered metabolism of Etonogestrel due to Ixekizumab alters the formation of CYP450 enzymes. Psoriasis [EA90] [14]
Bosentan DMIOGBU Major Increased metabolism of Etonogestrel caused by Bosentan mediated induction of CYP450 enzyme. Pulmonary hypertension [BB01] [17]
Temsirolimus DMS104F Moderate Increased plasma concentrations of Etonogestrel and Temsirolimus due to competitive inhibition of the same metabolic pathway. Renal cell carcinoma [2C90] [51]
Tocilizumab DM7J6OR Moderate Altered metabolism of Etonogestrel due to Tocilizumab alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [14]
Canakinumab DM8HLO5 Moderate Altered metabolism of Etonogestrel due to Canakinumab alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [14]
Rilonacept DMGLUQS Moderate Altered metabolism of Etonogestrel due to Rilonacept alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [14]
Golimumab DMHZV7X Moderate Altered metabolism of Etonogestrel due to Golimumab alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [14]
Nafcillin DMN9RPO Moderate Increased metabolism of Etonogestrel caused by Nafcillin mediated induction of CYP450 enzyme. Rheumatoid arthritis [FA20] [13]
Sarilumab DMOGNXY Moderate Altered metabolism of Etonogestrel due to Sarilumab alters the formation of CYP450 enzymes. Rheumatoid arthritis [FA20] [14]
Voxelotor DMCS6M5 Moderate Decreased metabolism of Etonogestrel caused by Voxelotor mediated inhibition of CYP450 enzyme. Sickle-cell disorder [3A51] [52]
Telotristat ethyl DMDIYFZ Moderate Increased metabolism of Etonogestrel caused by Telotristat ethyl mediated induction of CYP450 enzyme. Small intestine developmental anomaly [DA90] [14]
Larotrectinib DM26CQR Moderate Decreased metabolism of Etonogestrel caused by Larotrectinib mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [20]
Armodafinil DMGB035 Moderate Increased metabolism of Etonogestrel caused by Armodafinil mediated induction of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [20]
Pitolisant DM8RFNJ Moderate Increased metabolism of Etonogestrel caused by Pitolisant mediated induction of CYP450 enzyme. Somnolence [MG42] [14]
Fostamatinib DM6AUHV Moderate Decreased metabolism of Etonogestrel caused by Fostamatinib mediated inhibition of CYP450 enzyme. Thrombocytopenia [3B64] [53]
Sirolimus DMGW1ID Moderate Increased plasma concentrations of Etonogestrel and Sirolimus due to competitive inhibition of the same metabolic pathway. Transplant rejection [NE84] [51]
Tacrolimus DMZ7XNQ Moderate Increased plasma concentrations of Etonogestrel and Tacrolimus due to competitive inhibition of the same metabolic pathway. Transplant rejection [NE84] [51]
Elagolix DMB2C0E Moderate Increased metabolism of Etonogestrel caused by Elagolix mediated induction of CYP450 enzyme. Uterine fibroid [2E86] [13]
⏷ Show the Full List of 103 DDI Information of This Drug

References

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