Details of the Drug | DrugMAP

General Information of Drug (ID: DMCJ48G)

Drug Name	PMID27109571-Compound-36
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			389.5
	Logarithm of the Partition Coefficient (xlogp)			3.6
	Rotatable Bond Count (rotbonds)			5
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			7
Chemical Identifiers	Formula C18H19N3O3S2 IUPAC Name 2-[[5-cyclopropyl-4-methyl-3-(3-methyl-1,2,4-thiadiazol-5-yl)thiophen-2-yl]carbamoyl]cyclopentene-1-carboxylic acid Canonical SMILES CC1=C(SC(=C1C2=NC(=NS2)C)NC(=O)C3=C(CCC3)C(=O)O)C4CC4 InChI InChI=1S/C18H19N3O3S2/c1-8-13(17-19-9(2)21-26-17)16(25-14(8)10-6-7-10)20-15(22)11-4-3-5-12(11)18(23)24/h10H,3-7H2,1-2H3,(H,20,22)(H,23,24) InChIKey PPVLCUXVOGWJMY-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 73442005 TTD ID D0MM7U

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.