Details of the Drug

General Information of Drug (ID: DMBNI20)

Drug Name
Ulipristal
Synonyms Ella (TN)
Indication
Disease Entry ICD 11 Status REF
Contraception QA21 Approved [1]
Affected Organisms
Humans and other mammals
ATC Code
G03AD02: Ulipristal
G03AD: Emergency contraceptives
G03A: HORMONAL CONTRACEPTIVES FOR SYSTEMIC USE
G03: SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
G: GENITO URINARY SYSTEM AND SEX HORMONES
G03XB02: Ulipristal
G03XB: Progesterone receptor modulators
G03X: OTHER SEX HORMONES AND MODULATORS OF THE GENITAL SYSTEM
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) 433.6
Logarithm of the Partition Coefficient (xlogp) 2.9
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
ADMET Property
Absorption AUC
The area under the plot of plasma concentration (AUC) of drug is 556 +/- 260 mcgh/L []
Absorption Cmax
The maximum plasma concentration (Cmax) of drug is 176 +/- 89 mcg/L []
Absorption Tmax
The time to maximum plasma concentration (Tmax) is 60-90 min []
Clearance
The apparent oral clearance of drug is 76.8 +/- 64.0 L/h []
Half-life
The concentration or amount of drug in body reduced by one-half in 32.4 +/- 6.3 hours [2]
Metabolism
The drug is metabolized via the CYP3A4 and to a lesser extent by CYP1A2 into mono-demethylated (active) and di-methylated (inactive) metabolites []
Chemical Identifiers
Formula
C28H35NO3
IUPAC Name
(8S,11R,13S,14S,17R)-17-acetyl-11-[4-(dimethylamino)phenyl]-17-hydroxy-13-methyl-1,2,6,7,8,11,12,14,15,16-decahydrocyclopenta[a]phenanthren-3-one
Canonical SMILES
CC(=O)[C@]1(CC[C@@H]2[C@@]1(C[C@@H](C3=C4CCC(=O)C=C4CC[C@@H]23)C5=CC=C(C=C5)N(C)C)C)O
InChI
InChI=1S/C28H35NO3/c1-17(30)28(32)14-13-25-23-11-7-19-15-21(31)10-12-22(19)26(23)24(16-27(25,28)2)18-5-8-20(9-6-18)29(3)4/h5-6,8-9,15,23-25,32H,7,10-14,16H2,1-4H3/t23-,24+,25-,27-,28-/m0/s1
InChIKey
HKDLNTKNLJPAIY-WKWWZUSTSA-N
Cross-matching ID
PubChem CID
13559281
CAS Number
159811-51-5
UNII
6J5J15Q2X8
DrugBank ID
DB08867
TTD ID
D0V4WD
INTEDE ID
DR1657
Drug Pharmacogenomic Perturbation (DPP)NEW Click to Jump to the Detailed DPP Information of This Drug
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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 Modulator [1]

Drug-Metabolizing Enzyme (DME)
DME Name DME ID UniProt ID MOA REF
Cytochrome P450 3A4 (CYP3A4)
Main DME 		DE4LYSA CP3A4_HUMAN Substrate [3]
Cytochrome P450 1A2 (CYP1A2) DEJGDUW CP1A2_HUMAN Substrate [4]
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 1A2 (CYP1A2) DME CYP1A2 2.25E-08 -1.79E-01 -6.25E-01
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 Ulipristal (Comorbidity)
DDI Drug Name DDI Drug ID Severity Mechanism Comorbidity REF
Gilteritinib DMTI0ZO Moderate Decreased clearance of Ulipristal due to the transporter inhibition by Gilteritinib. Acute myeloid leukaemia [2A60] [5]
Troleandomycin DMUZNIG Minor Decreased metabolism of Ulipristal caused by Troleandomycin mediated inhibition of CYP450 enzyme. Bacterial infection [1A00-1C4Z] [5]
Pexidartinib DMS2J0Z Moderate Increased metabolism of Ulipristal caused by Pexidartinib mediated induction of CYP450 enzyme. Bone/articular cartilage neoplasm [2F7B] [6]
Talazoparib DM1KS78 Moderate Decreased clearance of Ulipristal due to the transporter inhibition by Talazoparib. Breast cancer [2C60-2C6Y] [7]
Tucatinib DMBESUA Moderate Decreased metabolism of Ulipristal caused by Tucatinib mediated inhibition of CYP450 enzyme. Breast cancer [2C60-2C6Y] [8]
Fidaxomicin DMFP6MV Minor Decreased clearance of Ulipristal due to the transporter inhibition by Fidaxomicin. Clostridium difficile enterocolitis [1A04] [9]
Ripretinib DM958QB Moderate Decreased clearance of Ulipristal due to the transporter inhibition by Ripretinib. Gastrointestinal stromal tumour [2B5B] [9]
Aliskiren DM1BV7W Moderate Decreased clearance of Ulipristal due to the transporter inhibition by Aliskiren. Hypertension [BA00-BA04] [10]
Berotralstat DMWA2DZ Major Decreased clearance of Ulipristal due to the transporter inhibition by Berotralstat. Innate/adaptive immunodeficiency [4A00] [11]
Naloxegol DML0B41 Minor Decreased clearance of Ulipristal due to the transporter inhibition by Naloxegol. Large intestine motility disorder [DB32] [12]
PF-06463922 DMKM7EW Moderate Increased metabolism of Ulipristal caused by PF-06463922 mediated induction of CYP450 enzyme. Lung cancer [2C25] [13]
Selpercatinib DMZR15V Moderate Decreased metabolism of Ulipristal caused by Selpercatinib mediated inhibition of CYP450 enzyme. Lung cancer [2C25] [5]
GDC-0199 DMH0QKA Major Decreased clearance of Ulipristal due to the transporter inhibition by GDC-0199. Mature B-cell leukaemia [2A82] [9]
IPI-145 DMWA24P Moderate Decreased metabolism of Ulipristal caused by IPI-145 mediated inhibition of CYP450 enzyme. Mature B-cell leukaemia [2A82] [5]
Arry-162 DM1P6FR Moderate Decreased clearance of Ulipristal due to the transporter inhibition by Arry-162. Melanoma [2C30] [9]
Ubrogepant DM749I3 Moderate Decreased clearance of Ulipristal due to the transporter inhibition by Ubrogepant. Migraine [8A80] [14]
Rucaparib DM9PVX8 Moderate Decreased metabolism of Ulipristal caused by Rucaparib mediated inhibition of CYP450 enzyme. Ovarian cancer [2C73] [15]
Abametapir DM2RX0I Moderate Decreased metabolism of Ulipristal caused by Abametapir mediated inhibition of CYP450 enzyme. Pediculosis [1G00] [16]
Lefamulin DME6G97 Moderate Decreased metabolism of Ulipristal caused by Lefamulin mediated inhibition of CYP450 enzyme. Pneumonia [CA40] [5]
Riociguat DMXBLMP Moderate Decreased clearance of Ulipristal due to the transporter inhibition by Riociguat. Pulmonary hypertension [BB01] [9]
Telotristat ethyl DMDIYFZ Moderate Increased metabolism of Ulipristal caused by Telotristat ethyl mediated induction of CYP450 enzyme. Small intestine developmental anomaly [DA90] [5]
LEE011 DMMX75K Moderate Decreased metabolism of Ulipristal caused by LEE011 mediated inhibition of CYP450 enzyme. Solid tumour/cancer [2A00-2F9Z] [17]
Fostamatinib DM6AUHV Moderate Decreased metabolism of Ulipristal caused by Fostamatinib mediated inhibition of CYP450 enzyme. Thrombocytopenia [3B64] [18]
⏷ Show the Full List of 23 DDI Information of This Drug

References

1 Mullard A: 2010 FDA drug approvals. Nat Rev Drug Discov. 2011 Feb;10(2):82-5.
2 Trend Analysis of a Database of Intravenous Pharmacokinetic Parameters in Humans for 1352 Drug Compounds
3 Emergency contraception. Gynecol Endocrinol. 2013 Mar;29 Suppl 1:1-14.
4 The clinical pharmacology and pharmacokinetics of ulipristal acetate for the treatment of uterine fibroids. Reprod Sci. 2015 Apr;22(4):476-83.
5 Cerner Multum, Inc. "UK Summary of Product Characteristics.".
6 Product Information. Turalio (pexidartinib). Daiichi Sankyo, Inc., Parsippany, NJ.
7 Product Information. Talzenna (talazoparib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
8 Product Information. Tukysa (tucatinib). Seattle Genetics Inc, Bothell, WA.
9 Cerner Multum, Inc. "Australian Product Information.".
10 Canadian Pharmacists Association.
11 Product Information. Orladeyo (berotralstat). BioCryst Pharmaceuticals Inc, Durham, NC.
12 Product Information. Movantik (naloxegol). Astra-Zeneca Pharmaceuticals, Wilmington, DE.
13 Product Information. Lorbrena (lorlatinib). Pfizer U.S. Pharmaceuticals Group, New York, NY.
14 Product Information. Ubrelvy (ubrogepant). Allergan Inc, Irvine, CA.
15 EMA. European Medicines Agency. European Union "EMA - List of medicines under additional monitoring.".
16 Product Information. Xeglyze (abametapir topical). Dr. Reddy's Laboratories Inc, Upper Saddle River, NJ.
17 DSouza DL, Levasseur LM, Nezamis J, Robbins DK, Simms L, Koch KM "Effect of alosetron on the pharmacokinetics of alprazolam." J Clin Pharmacol 41 (2001): 452-4. [PMID: 11304902]
18 Product Information. Tavalisse (fostamatinib). Rigel Pharmaceuticals, South San Francisco, CA.