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

General Information of Drug (ID: DR2996)
Drug Name
CPA-926
Synonyms 6-(2-Acetamido-2-deoxy-beta-D-glucopyranosyloxy)-7-hydroxy-2H-1-benzopyran-2-one
Indication Rheumatoid arthritis [ICD11: FA20] Discontinued in Phase 2 [1]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 381.3 Topological Polar Surface Area 155
Heavy Atom Count 27 Rotatable Bond Count 4
Hydrogen Bond Donor Count 5 Hydrogen Bond Acceptor Count 9
Cross-matching ID
PubChem CID
9800054
TTD Drug ID
D0G6PG
Formula
C17H19NO9
Canonical SMILES
CC(=O)N[C@@H]1[C@H]([C@@H]([C@H](O[C@H]1OC2=C(C=C3C(=C2)C=CC(=O)O3)O)CO)O)O
InChI
InChI=1S/C17H19NO9/c1-7(20)18-14-16(24)15(23)12(6-19)27-17(14)26-11-4-8-2-3-13(22)25-10(8)5-9(11)21/h2-5,12,14-17,19,21,23-24H,6H2,1H3,(H,18,20)/t12-,14-,15-,16-,17-/m1/s1
InChIKey
OTXAWKXSJDFGID-LMHBHQSJSA-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
Esculetin DM003876
5281416
Unclear - Unclear 1 [3]
The Full List of Metabolic Reaction (MR) of This Drug
MR ID Reactant Product MR Type DME REF
MR009399 CPA-926 Esculetin Unclear - Unclear Unclear [3]
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 3A7 (CYP3A7) DME0015 Homo sapiens
CP3A7_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 800018063)
2 Identification of Selective CYP3A7 and CYP3A4 Substrates and Inhibitors Using a High-Throughput Screening Platform. Front Pharmacol. 2022 Jul 1;13:899536. doi: 10.3389/fphar.2022.899536.
3 Esculetin (dihydroxycoumarin) inhibits the production of matrix metalloproteinases in cartilage explants, and oral administration of its prodrug, CPA-926, suppresses cartilage destruction in rabbit experimental osteoarthritis

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