Details of the Drug Metabolized by Drug-Metabolizing Enzyme (DME)

General Information of Drug (ID: DR3284)
Drug Name
Telapristone
Synonyms
Telapristone acetate; Proellex; 198414-31-2; UNII-1K9EYK92PQ; CDB-4124; 1K9EYK92PQ; Telapristone acetate [USAN]; Telapristone acetate (USAN); CCRIS 9331; CDB 4124; SCHEMBL374762; CHEMBL2105694; DTXSID60173587; RU-44675; 17alpha-Acetoxy-11beta-(4-(dimethylamino)phenyl)-21-methoxy-19-norpregna-4,9-dien-3,20-dione; D09972; 19-Norpregna-4,9-diene-3,20-dione, 17-(acetyloxy)-11-(4-(dimethylamino)phenyl)-21-methoxy-, (11beta)-; A-Acetoxy-21-methoxy-11
Indication Endometriosis [ICD11: GA10] Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 463.6 Topological Polar Surface Area 66.8
Heavy Atom Count 34 Rotatable Bond Count 5
Hydrogen Bond Donor Count 1 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
20761503
CAS Number
198414-30-1
TTD Drug ID
D0U8AS
Formula
C29H37NO4
Canonical SMILES
C[C@]12C[C@@H](C3=C4CCC(=O)C=C4CC[C@H]3[C@@H]1CC[C@@]2(C(=O)COC)O)C5=CC=C(C=C5)N(C)C
InChI
InChI=1S/C29H37NO4/c1-28-16-24(18-5-8-20(9-6-18)30(2)3)27-22-12-10-21(31)15-19(22)7-11-23(27)25(28)13-14-29(28,33)26(32)17-34-4/h5-6,8-9,15,23-25,33H,7,10-14,16-17H2,1-4H3/t23-,24+,25-,28-,29-/m0/s1
InChIKey
BHERMCLNVOVDPU-DQFOBABISA-N
The Metabolic Roadmap of This Drug
The Full List of Drug Metabolites (DM) of This Drug
DM Name DM ID PubChem ID Reaction DM Level REF
17alpha-Hydroxy telapristone DM016216
59534482
Oxidation - Hydroxylation 1 [2]
Monodemethylated telapristone DM019270 N. A. Oxidation - Demethylation 1 [2]
Didemethylated telapristone DM019271 N. A. Oxidation - Demethylation 2 [2]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR011786 Telapristone Monodemethylated telapristone Oxidation - Demethylation CYP3A5 [2]
MR011788 Telapristone 17alpha-Hydroxy telapristone Oxidation - Hydroxylation CYP3A5 [2]
MR011787 Monodemethylated telapristone Didemethylated telapristone Oxidation - Demethylation CYP3A5 [2]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A5 (CYP3A5) DME0012 Homo sapiens
CP3A5_HUMAN
1.14.14.1
[2]
References
1 Trusted, scientifically sound profiles of drug programs, clinical trials, safety reports, and company deals, written by scientists. Springer. 2015. Adis Insight (drug id 800014404)
2 Population pharmacokinetics of telapristone (CDB-4124) and its active monodemethylated metabolite CDB-4453, with a mixture model for total clearance

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