Details of the Drug | DrugMAP

General Information of Drug (ID: DMU690T)

Drug Name	PMID27109571-Compound-31
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			392.4
	Logarithm of the Partition Coefficient (xlogp)			4.1
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			3
	Hydrogen Bond Acceptor Count (hbondacc)			6
Chemical Identifiers	Formula C20H19F3N2O3 IUPAC Name 1-[[2-phenyl-5-(trifluoromethyl)phenyl]carbamoylamino]cyclopentane-1-carboxylic acid Canonical SMILES C1CCC(C1)(C(=O)O)NC(=O)NC2=C(C=CC(=C2)C(F)(F)F)C3=CC=CC=C3 InChI InChI=1S/C20H19F3N2O3/c21-20(22,23)14-8-9-15(13-6-2-1-3-7-13)16(12-14)24-18(28)25-19(17(26)27)10-4-5-11-19/h1-3,6-9,12H,4-5,10-11H2,(H,26,27)(H2,24,25,28) InChIKey LZSZOARSNJNBDV-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 86271032 TTD ID D00RDL

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]
Fatty acid-binding protein 5 (FABP5)	TTNT2S6	FABP5_HUMAN	Inhibitor	[1]

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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.