Details of the Drug

General Information of Drug (ID: DME20VP)

Drug Name
BMS-433771
Synonyms
AIDS161903; Bms 433771; 1-cyclopropyl-3-[[1-(3-hydroxypropyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one; 1-cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
Indication
Disease Entry ICD 11 Status REF
Respiratory syncytial virus infection 1C80 Terminated [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 377.4
Logarithm of the Partition Coefficient (xlogp) 1.4
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 1
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C21H23N5O2
IUPAC Name
1-cyclopropyl-3-[[1-(4-hydroxybutyl)benzimidazol-2-yl]methyl]imidazo[4,5-c]pyridin-2-one
Canonical SMILES
C1CC1N2C3=C(C=NC=C3)N(C2=O)CC4=NC5=CC=CC=C5N4CCCCO
InChI
InChI=1S/C21H23N5O2/c27-12-4-3-11-24-17-6-2-1-5-16(17)23-20(24)14-25-19-13-22-10-9-18(19)26(21(25)28)15-7-8-15/h1-2,5-6,9-10,13,15,27H,3-4,7-8,11-12,14H2
InChIKey
KSHJXDWYTZJUEI-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
6478034
ChEBI ID
CHEMBL243876
CAS Number
543700-68-1
TTD ID
D08QTP
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Hydroxyphenylpyruvate dioxygenase (HPD) TT8DSFC HPPD_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Emerging drugs for respiratory syncytial virus infection. Expert Opin Emerg Drugs. 2009 Jun;14(2):207-17.