Details of the Drug

General Information of Drug (ID: DM0VEC1)

Drug Name
Ergonovine
Synonyms
Basergin; Ergobasin; Ergobasine; Ergoklinine; Ergometrin; Ergometrina; Ergometrine; Ergometrinum; Ergostetrine; Ergotocine; Ergotrate; Margonovine; Neofemergen; Secacornin; Secometrin; Ergotrate Maleate; Lysergic acid propanolamide; Ergometrina [INN-Spanish]; Ergometrine (INN); Ergometrine [INN:BAN]; Ergometrinum[INN-Latin]; D-Lysergic acid 1-hydroxymethylethylamide; D-Lysergic acid-L-propanolamide; L-Lysergic-L(beta-hydroxyisopropylamide); N-(1-(Hydroxymethyl)ethyl)-D-lysergamide; N-(alpha-(Hydroxymethyl)ethyl)-D-lysergamide; N-(2-Hydroxy-1-methylethyl)-D(+)-lysergamide; N-[(2S)-1-hydroxypropan-2-yl]-6-methyl-9,10-didehydroergoline-8beta-carboxamide; [8beta(S)]-9,10-didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8-carboxamide; 9,10-Didehydro-N-(2-hydroxy-1-methylethyl)-6-methylergoline-8beta(S)-carboxamide; 9,10-Didehydro-N-(alpha-(hydroxymethyl)ethyl)-6-methylergoline-8-beta-carboxamide
Indication
Disease Entry ICD 11 Status REF
Postpartum haemorrhage JA43 Approved [1]
Therapeutic Class
Oxytocics
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 325.4
Logarithm of the Partition Coefficient (xlogp) 1.8
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 3
Hydrogen Bond Acceptor Count (hbondacc) 3
ADMET Property
Absorption
The drug is rapidly and completely absorbed after oral or intramuscular administration []
BDDCS Class
Biopharmaceutics Drug Disposition Classification System (BDDCS) Class 1: high solubility and high permeability [2]
Half-life
The concentration or amount of drug in body reduced by one-half in 10 minutes (alpha), and 2 hours (beta) [3]
Metabolism
The drug is metabolized via the hepatic []
MRTD
The Maximum Recommended Therapeutic Dose (MRTD) of drug that ensured maximising efficacy and moderate side effect is 0.022 micromolar/kg/day [4]
Water Solubility
The ability of drug to dissolve in water is measured as 10 mg/mL [2]
Adverse Drug Reaction (ADR)
ADR Term Variation Related DOT DOT ID REF
Liver injury Not Available ICAM1 OTTOIX77 [5]
Chemical Identifiers
Formula
C19H23N3O2
IUPAC Name
(6aR,9R)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Canonical SMILES
C[C@@H](CO)NC(=O)[C@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C
InChI
InChI=1S/C19H23N3O2/c1-11(10-23)21-19(24)13-6-15-14-4-3-5-16-18(14)12(8-20-16)7-17(15)22(2)9-13/h3-6,8,11,13,17,20,23H,7,9-10H2,1-2H3,(H,21,24)/t11-,13+,17+/m0/s1
InChIKey
WVVSZNPYNCNODU-XTQGRXLLSA-N
Cross-matching ID
PubChem CID
443884
ChEBI ID
CHEBI:4822
CAS Number
60-79-7
DrugBank ID
DB01253
TTD ID
D0C1IW
VARIDT ID
DR00598
INTEDE ID
DR0597
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
Dopamine D2 receptor (D2R) TTEX248 DRD2_HUMAN Agonist [6]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [7]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Intercellular adhesion molecule 1 (ICAM1) OTTOIX77 ICAM1_HUMAN Drug Response [5]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

Molecular Expression Atlas of This Drug

The Studied Disease Postpartum haemorrhage
ICD Disease Classification JA43
Molecule Name Molecule Type Gene Name p-value Fold-Change Z-score
Dopamine D2 receptor (D2R) DTT DRD2 2.50E-02 -0.08 -0.49
Cytochrome P450 3A4 (CYP3A4) DME CYP3A4 1.04E-02 6.29E-02 3.54E-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 Ergonovine (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Metreleptin DM1NOEK Moderate Increased metabolism of Ergonovine caused by Metreleptin mediated induction of CYP450 enzyme. Acute diabete complication [5A2Y] [8]
Ivosidenib DM8S6T7 Moderate Increased metabolism of Ergonovine caused by Ivosidenib mediated induction of CYP450 enzyme. Acute myeloid leukaemia [2A60] [8]
Arn-509 DMT81LZ Moderate Increased metabolism of Ergonovine caused by Arn-509 mediated induction of CYP450 enzyme. Acute myeloid leukaemia [2A60] [8]
Dronedarone DMA8FS5 Moderate Decreased metabolism of Ergonovine caused by Dronedarone mediated inhibition of CYP450 enzyme. Angina pectoris [BA40] [9]
Posaconazole DMUL5EW Major Decreased metabolism of Ergonovine caused by Posaconazole mediated inhibition of CYP450 enzyme. Aspergillosis [1F20] [10]
Ephedrine DMMV0KW Major Additive hypertensive effects by the combination of Ergonovine and Ephedrine. Asthma [CA23] [11]
Oritavancin DM28D05 Moderate Increased metabolism of Ergonovine caused by Oritavancin mediated induction of CYP450 enzyme. Bacterial infection [1A00-1C4Z] [8]
Dalfopristin DM4LTKV Moderate Decreased metabolism of Ergonovine caused by Dalfopristin mediated inhibition of CYP450 enzyme. Bacterial infection [1A00-1C4Z] [9]
Erdafitinib DMI782S Moderate Increased metabolism of Ergonovine caused by Erdafitinib mediated induction of CYP450 enzyme. Bladder cancer [2C94] [12]
Pexidartinib DMS2J0Z Moderate Increased metabolism of Ergonovine caused by Pexidartinib mediated induction of CYP450 enzyme. Bone/articular cartilage neoplasm [2F7B] [8]
Lapatinib DM3BH1Y Moderate Decreased metabolism of Ergonovine caused by Lapatinib mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [9]
Tucatinib DMBESUA Major Decreased metabolism of Ergonovine caused by Tucatinib mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [13]
Palbociclib DMD7L94 Moderate Decreased metabolism of Ergonovine caused by Palbociclib mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [9]
Pasireotide DMHM7JS Moderate Decreased metabolism of Ergonovine caused by Pasireotide mediated inhibition of CYP450 enzyme. Cushing syndrome [5A70] [9]
Osilodrostat DMIJC9X Moderate Decreased metabolism of Ergonovine caused by Osilodrostat mediated inhibition of CYP450 enzyme. Cushing syndrome [5A70] [9]
Lumacaftor DMCLWDJ Moderate Increased metabolism of Ergonovine caused by Lumacaftor mediated induction of CYP450 enzyme. Cystic fibrosis [CA25] [8]
Ivacaftor DMZC1HS Moderate Decreased metabolism of Ergonovine caused by Ivacaftor mediated inhibition of CYP450 enzyme. Cystic fibrosis [CA25] [9]
LEVONORDEFRIN DMWDJ0H Major Additive hypertensive effects by the combination of Ergonovine and LEVONORDEFRIN. Discovery agent [N.A.] [11]
Cenobamate DM8KLU9 Moderate Increased metabolism of Ergonovine caused by Cenobamate mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [8]
Stiripentol DMMSDOY Moderate Decreased metabolism of Ergonovine caused by Stiripentol mediated inhibition of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [14]
Fosphenytoin DMOX3LB Moderate Increased metabolism of Ergonovine caused by Fosphenytoin mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [8]
Rufinamide DMWE60C Moderate Increased metabolism of Ergonovine caused by Rufinamide mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [8]
Eslicarbazepine DMZREFQ Moderate Increased metabolism of Ergonovine caused by Eslicarbazepine mediated induction of CYP450 enzyme. Epilepsy/seizure [8A61-8A6Z] [8]
Tazemetostat DMWP1BH Moderate Increased metabolism of Ergonovine caused by Tazemetostat mediated induction of CYP450 enzyme. Follicular lymphoma [2A80] [8]
Tetrahydrozoline DMT57WC Major Additive hypertensive effects by the combination of Ergonovine and Tetrahydrozoline. Herpes simplex infection [1F00] [11]
MK-1439 DM215WE Moderate Increased metabolism of Ergonovine caused by MK-1439 mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [8]
Fosamprenavir DM4W9B3 Major Decreased metabolism of Ergonovine caused by Fosamprenavir mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [15]
Cobicistat DM6L4H2 Major Decreased metabolism of Ergonovine caused by Cobicistat mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [13]
Etravirine DMGV8QU Moderate Increased metabolism of Ergonovine caused by Etravirine mediated induction of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [8]
Darunavir DMN3GCH Major Decreased metabolism of Ergonovine caused by Darunavir mediated inhibition of CYP450 enzyme. Human immunodeficiency virus disease [1C60-1C62] [15]
BMS-201038 DMQTAGO Moderate Decreased metabolism of Ergonovine caused by BMS-201038 mediated inhibition of CYP450 enzyme. Hyper-lipoproteinaemia [5C80] [9]
Levamlodipine DM92S6N Moderate Decreased metabolism of Ergonovine caused by Levamlodipine mediated inhibition of CYP450 enzyme. Hypertension [BA00-BA04] [9]
Lesinurad DMUR64T Moderate Increased metabolism of Ergonovine caused by Lesinurad mediated induction of CYP450 enzyme. Inborn purine/pyrimidine/nucleotide metabolism error [5C55] [8]
Suvorexant DM0E6S3 Moderate Decreased metabolism of Ergonovine caused by Suvorexant mediated inhibition of CYP450 enzyme. Insomnia [7A00-7A0Z] [9]
Amobarbital DM0GQ8N Moderate Increased metabolism of Ergonovine caused by Amobarbital mediated induction of CYP450 enzyme. Insomnia [7A00-7A0Z] [8]
Naphazoline DMJFZDL Major Additive hypertensive effects by the combination of Ergonovine and Naphazoline. Itching [1F28-1G07] [11]
Crizotinib DM4F29C Moderate Decreased metabolism of Ergonovine caused by Crizotinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [9]
Brigatinib DM7W94S Moderate Increased metabolism of Ergonovine caused by Brigatinib mediated induction of CYP450 enzyme. Lung cancer [2C25] [8]
Ceritinib DMB920Z Major Decreased metabolism of Ergonovine caused by Ceritinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [13]
PF-06463922 DMKM7EW Moderate Increased metabolism of Ergonovine caused by PF-06463922 mediated induction of CYP450 enzyme. Lung cancer [2C25] [8]
Osimertinib DMRJLAT Moderate Increased metabolism of Ergonovine caused by Osimertinib mediated induction of CYP450 enzyme. Lung cancer [2C25] [16]
Selpercatinib DMZR15V Moderate Decreased metabolism of Ergonovine caused by Selpercatinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [9]
Idelalisib DM602WT Major Decreased metabolism of Ergonovine caused by Idelalisib mediated inhibition of CYP450 enzyme. Mature B-cell leukaemia [2A82] [13]
IPI-145 DMWA24P Moderate Decreased metabolism of Ergonovine caused by IPI-145 mediated inhibition of CYP450 enzyme. Mature B-cell leukaemia [2A82] [9]
Vemurafenib DM62UG5 Moderate Increased metabolism of Ergonovine caused by Vemurafenib mediated induction of CYP450 enzyme. Melanoma [2C30] [8]
LGX818 DMNQXV8 Moderate Increased metabolism of Ergonovine caused by LGX818 mediated induction of CYP450 enzyme. Melanoma [2C30] [17]
Dabrafenib DMX6OE3 Moderate Increased metabolism of Ergonovine caused by Dabrafenib mediated induction of CYP450 enzyme. Melanoma [2C30] [16]
Danazol DML8KTN Moderate Decreased metabolism of Ergonovine caused by Danazol mediated inhibition of CYP450 enzyme. Menstrual cycle bleeding disorder [GA20] [9]
Exjade DMHPRWG Moderate Increased metabolism of Ergonovine caused by Exjade mediated induction of CYP450 enzyme. Mineral absorption/transport disorder [5C64] [8]
Fedratinib DM4ZBK6 Moderate Decreased metabolism of Ergonovine caused by Fedratinib mediated inhibition of CYP450 enzyme. Myeloproliferative neoplasm [2A20] [9]
Dasatinib DMJV2EK Moderate Decreased metabolism of Ergonovine caused by Dasatinib mediated inhibition of CYP450 enzyme. Myeloproliferative neoplasm [2A20] [9]
Netupitant DMEKAYI Moderate Decreased metabolism of Ergonovine caused by Netupitant mediated inhibition of CYP450 enzyme. Nausea/vomiting [MD90] [9]
Entrectinib DMMPTLH Moderate Decreased metabolism of Ergonovine caused by Entrectinib mediated inhibition of CYP450 enzyme. Non-small cell lung cancer [2C25] [9]
Propylhexedrine DMTBW2O Major Additive hypertensive effects by the combination of Ergonovine and Propylhexedrine. Obesity [5B80-5B81] [11]
Olaparib DM8QB1D Moderate Decreased metabolism of Ergonovine caused by Olaparib mediated inhibition of CYP450 enzyme. Ovarian cancer [2C73] [8]
Rucaparib DM9PVX8 Moderate Decreased metabolism of Ergonovine caused by Rucaparib mediated inhibition of CYP450 enzyme. Ovarian cancer [2C73] [9]
Abametapir DM2RX0I Moderate Decreased metabolism of Ergonovine caused by Abametapir mediated inhibition of CYP450 enzyme. Pediculosis [1G00] [18]
Lanreotide acetate DMG6ZU4 Moderate Decreased metabolism of Ergonovine caused by Lanreotide acetate mediated inhibition of CYP450 enzyme. Pituitary gland disorder [5A60-5A61] [9]
Lefamulin DME6G97 Moderate Decreased metabolism of Ergonovine caused by Lefamulin mediated inhibition of CYP450 enzyme. Pneumonia [CA40] [19]
Lonafarnib DMGM2Z6 Major Decreased metabolism of Ergonovine caused by Lonafarnib mediated inhibition of CYP450 enzyme. Premature ageing appearance [LD2B] [13]
ABIRATERONE DM8V75C Moderate Decreased metabolism of Ergonovine caused by ABIRATERONE mediated inhibition of CYP450 enzyme. Prostate cancer [2C82] [9]
Enzalutamide DMGL19D Moderate Increased metabolism of Ergonovine caused by Enzalutamide mediated induction of CYP450 enzyme. Prostate cancer [2C82] [8]
Temsirolimus DMS104F Moderate Increased plasma concentrations of Ergonovine and Temsirolimus due to competitive inhibition of the same metabolic pathway. Renal cell carcinoma [2C90] [20]
Voxelotor DMCS6M5 Moderate Decreased metabolism of Ergonovine caused by Voxelotor mediated inhibition of CYP450 enzyme. Sickle-cell disorder [3A51] [9]
Telotristat ethyl DMDIYFZ Moderate Increased metabolism of Ergonovine caused by Telotristat ethyl mediated induction of CYP450 enzyme. Small intestine developmental anomaly [DA90] [8]
Larotrectinib DM26CQR Moderate Decreased metabolism of Ergonovine caused by Larotrectinib mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [9]
Armodafinil DMGB035 Moderate Increased metabolism of Ergonovine caused by Armodafinil mediated induction of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [8]
LEE011 DMMX75K Moderate Decreased metabolism of Ergonovine caused by LEE011 mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [9]
Pitolisant DM8RFNJ Moderate Increased metabolism of Ergonovine caused by Pitolisant mediated induction of CYP450 enzyme. Somnolence [MG42] [8]
Fostamatinib DM6AUHV Moderate Decreased metabolism of Ergonovine caused by Fostamatinib mediated inhibition of CYP450 enzyme. Thrombocytopenia [3B64] [21]
Brilinta DMBR01X Moderate Decreased metabolism of Ergonovine caused by Brilinta mediated inhibition of CYP450 enzyme. Thrombosis [DB61-GB90] [16]
Elagolix DMB2C0E Moderate Increased metabolism of Ergonovine caused by Elagolix mediated induction of CYP450 enzyme. Uterine fibroid [2E86] [8]
⏷ Show the Full List of 72 DDI Information of This Drug

References

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21 Product Information. Tavalisse (fostamatinib). Rigel Pharmaceuticals, South San Francisco, CA.