Details of the Drug

General Information of Drug (ID: DM5UJ9P)

Drug Name
IMU-838
Synonyms
Vidofludimus; 717824-30-1; 4SC-101; SC12267; UNII-8Y1PJ3VG81; SC 12267; CHEMBL197194; 8Y1PJ3VG81; Vidofludimus(4SC-101; SC12267); Vidofludimus [INN]; SCHEMBL247888; GTPL9860; KS-00000TTT; BDBM16111; EX-A546; IMU-838; DTXSID50431325; HMS3740I15; AOB87354; BCP14555; ZINC14960644; s7262; AK; Vidofludimus
Indication
Disease Entry ICD 11 Status REF
Coronavirus Disease 2019 (COVID-19) 1D6Y Phase 2/3 [1]
Therapeutic Class
Antiviral Agents
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
ChEBI ID
CHEMBL197194
CAS Number
717824-30-1
TTD ID
D08FUR
Drug-Molecule Activity Atlas (DMA)NEW Click to Jump to the Detailed DMA Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
HUMAN dihydroorotate dehydrogenase (DHODH) TT3UY29 PYRD_HUMAN Inhibitor [2]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 ClinicalTrials.gov (NCT04379271) A Study to Evaluate the Efficacy, Safety and Tolerability of IMU-838 as Addition to Investigator's Choice of Standard of Care Therapy, in Patients With Coronavirus Disease 19 (COVID-19). U.S. National Institutes of Health.
2 IMU-838 Targeting DHODH