Details of the Drug | DrugMAP

General Information of Drug (ID: DMRQHDF)

Drug Name	PMID27109571-Compound-38
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			313.4
	Logarithm of the Partition Coefficient (xlogp)			3.4
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C17H15NO3S IUPAC Name 2-[(3-phenylthiophen-2-yl)carbamoyl]cyclopentene-1-carboxylic acid Canonical SMILES C1CC(=C(C1)C(=O)O)C(=O)NC2=C(C=CS2)C3=CC=CC=C3 InChI InChI=1S/C17H15NO3S/c19-15(13-7-4-8-14(13)17(20)21)18-16-12(9-10-22-16)11-5-2-1-3-6-11/h1-3,5-6,9-10H,4,7-8H2,(H,18,19)(H,20,21) InChIKey WTIMMZFOZTXDOY-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 73442650 TTD ID D0XH0I

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Fatty acid-binding protein (FABP)	TTMY6L1	NOUNIPROTAC	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.