Details of the Drug

General Information of Drug (ID: DMTKFX7)

Drug Name
PMID27109571-Compound-8
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 383.8
Logarithm of the Partition Coefficient (xlogp) 2.6
Rotatable Bond Count (rotbonds) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
Chemical Identifiers
Formula
C20H18ClN3O3
IUPAC Name
3-[2-[(3-chlorophenyl)-hydroxymethyl]pyrrolidine-1-carbonyl]-1H-quinoxalin-2-one
Canonical SMILES
C1CC(N(C1)C(=O)C2=NC3=CC=CC=C3NC2=O)C(C4=CC(=CC=C4)Cl)O
InChI
InChI=1S/C20H18ClN3O3/c21-13-6-3-5-12(11-13)18(25)16-9-4-10-24(16)20(27)17-19(26)23-15-8-2-1-7-14(15)22-17/h1-3,5-8,11,16,18,25H,4,9-10H2,(H,23,26)
InChIKey
FORQANAYPSMAGB-UHFFFAOYSA-N
Cross-matching ID
PubChem CID
68749983
ChEBI ID
CHEMBL5282369
TTD ID
D0L4EU
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
Fatty acid-binding protein 4 (FABP4) TTHWMFZ FABP4_HUMAN Inhibitor [1]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Fatty acid binding protein (FABP) inhibitors: a patent review (2012-2015).Expert Opin Ther Pat. 2016 Jul;26(7):767-76.