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

General Information of Drug (ID: DR4568)
Drug Name
Vidofludimus
Synonyms
Vidofludimus; 717824-30-1; 4SC-101; UNII-8Y1PJ3VG81; SC12267; Vidofludimus(4SC-101; SC12267); CHEMBL197194; 8Y1PJ3VG81; 2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic Acid; 2-{[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl}cyclopent-1-ene-1-carboxylic acid; 2-[[2-fluoranyl-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid; Vidofludimus [INN]; SC 12267; SCHEMBL247888; GTPL9860; KS-00000TTT; BDBM16111; EX-A546; DTXSID50431325; MolPort-039-193-851; BCP14555; AOB87354; s7262; ZINC14960644
Indication Inflammatory bowel disease [ICD11: DD72] Phase 2 [1]
Rheumatoid arthritis [ICD11: ICD11: FA20] Phase 2 [2]
Structure
3D MOL 2D MOL
Pharmaceutical Properties Molecular Weight 355.4 Topological Polar Surface Area 75.6
Heavy Atom Count 26 Rotatable Bond Count 5
Hydrogen Bond Donor Count 2 Hydrogen Bond Acceptor Count 5
Cross-matching ID
PubChem CID
9820008
CAS Number
717824-30-1
TTD Drug ID
D00LSI
Formula
C20H18FNO4
Canonical SMILES
COC1=CC=CC(=C1)C2=CC(=C(C=C2)NC(=O)C3=C(CCC3)C(=O)O)F
InChI
InChI=1S/C20H18FNO4/c1-26-14-5-2-4-12(10-14)13-8-9-18(17(21)11-13)22-19(23)15-6-3-7-16(15)20(24)25/h2,4-5,8-11H,3,6-7H2,1H3,(H,22,23)(H,24,25)
InChIKey
XPRDUGXOWVXZLL-UHFFFAOYSA-N
The Predicted Metabolic Roadmap of This Drug
The Full List of Predicted Drug Metabolites (PDM) of This Drug
PDM Name PDM ID PubChem ID Reaction PDM Level Biosystem
Vidofludimus M1 PDM010246 N. A. Conjugation - Glycine conjugation 1 Human
Vidofludimus M2 PDM010247 N. A. Conjugation - O-Glucuronidation of aliphatic acid 1 Human
Vidofludimus M3 PDM010248 N. A. Conjugation - Carnitine conjugation 1 Human
Vidofludimus M4 PDM010249
58913722
Reduction - Reduction of alpha,beta-unsaturated carbon-carbon double bond adjacent to electron withdrawing group 1 Gut microbial environment
Drug-Metabolizing Enzyme(s) (DME) Metabolizing This Drug
DME Name DME Info Species Uniprot ID EC Number REF
Cytochrome P450 2C8 (CYP2C8) DME0018 Homo sapiens
CP2C8_HUMAN
1.14.14.1
[3]
References
1 2011 Pipeline of 4SC AG.
2 2011 Pipeline of 4SC AG.
3 Safety, Tolerability and Pharmacokinetics of Vidofludimus calcium (IMU-838) After Single and Multiple Ascending Oral Doses in Healthy Male Subjects

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