Details of the Drug | DrugMAP

General Information of Drug (ID: DMTKFX7)

Drug Name	PMID27109571-Compound-8
Drug Type	Small molecular drug
Structure
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 TTD ID D0L4EU

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.