Details of the Drug

General Information of Drug (ID: DM21CYI)

Drug Name
BMS-316810
Synonyms BMS-316810; CHEMBL360330; SCHEMBL12961958; BDBM50164025; Pyridine-2-sulfonic acid [6-cyano-1-(3-methyl-3H-imidazol-4-ylmethyl)-1,2,3,4-tetrahydro-quinolin-3-yl]-thiophen-3-ylmethyl-amide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 1 Molecular Weight (mw) 504.6
Logarithm of the Partition Coefficient (xlogp) 2.8
Rotatable Bond Count (rotbonds) 7
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 8
Chemical Identifiers
Formula
C25H24N6O2S2
IUPAC Name
N-[6-cyano-1-[(3-methylimidazol-4-yl)methyl]-3,4-dihydro-2H-quinolin-3-yl]-N-(thiophen-3-ylmethyl)pyridine-2-sulfonamide
Canonical SMILES
CN1C=NC=C1CN2CC(CC3=C2C=CC(=C3)C#N)N(CC4=CSC=C4)S(=O)(=O)C5=CC=CC=N5
InChI
InChI=1S/C25H24N6O2S2/c1-29-18-27-13-23(29)16-30-15-22(11-21-10-19(12-26)5-6-24(21)30)31(14-20-7-9-34-17-20)35(32,33)25-4-2-3-8-28-25/h2-10,13,17-18,22H,11,14-16H2,1H3
InChIKey
FPEPZFNRGIPRRN-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
9806149
ChEBI ID
CHEMBL360330
TTD ID
D0PK8Y
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
CAAX farnesyltransferase beta (FNTB) TT7WZIJ FNTB_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Design, synthesis, and structure-activity relationships of tetrahydroquinoline-based farnesyltransferase inhibitors. Bioorg Med Chem Lett. 2005 Apr 1;15(7):1895-9.