Details of the Drug | DrugMAP

General Information of Drug (ID: DMJCAOD)

Drug Name	PMID27109571-Compound-37
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			467.5
	Logarithm of the Partition Coefficient (xlogp)			4.8
	Rotatable Bond Count (rotbonds)			5
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			10
Chemical Identifiers	Formula C21H20F3N3O4S IUPAC Name 3-[[4-cyclopropyl-5-methyl-3-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]thiophen-2-yl]carbamoyl]bicyclo[2.2.2]oct-2-ene-2-carboxylic acid Canonical SMILES CC1=C(C(=C(S1)NC(=O)C2=C(C3CCC2CC3)C(=O)O)C4=NC(=NO4)C(F)(F)F)C5CC5 InChI InChI=1S/C21H20F3N3O4S/c1-8-12(9-2-3-9)15(17-26-20(27-31-17)21(22,23)24)18(32-8)25-16(28)13-10-4-6-11(7-5-10)14(13)19(29)30/h9-11H,2-7H2,1H3,(H,25,28)(H,29,30) InChIKey HXCOCQVXJUKVAX-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 73442653 TTD ID D08KCW

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.