Details of the Drug

General Information of Drug (ID: DM0POWG)

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
Disease Entry ICD 11 Status REF
Inflammatory bowel disease DD72 Phase 2 [1]
Rheumatoid arthritis FA20 Phase 2 [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 355.4
Logarithm of the Partition Coefficient (xlogp) 3.4
Rotatable Bond Count (rotbonds) 5
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 5
Chemical Identifiers
Formula
C20H18FNO4
IUPAC Name
2-[[2-fluoro-4-(3-methoxyphenyl)phenyl]carbamoyl]cyclopentene-1-carboxylic acid
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
Cross-matching ID
PubChem CID
9820008
CAS Number
717824-30-1
DrugBank ID
DB15446
TTD ID
D00LSI
Repurposed Drugs (RPD) Click to Jump to the Detailed RPD Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Dihydroorotate dehydrogenase (DHODH) TTLVP78 PYRD_HUMAN Modulator [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 2011 Pipeline of 4SC AG.
2 Company report (4SC)