Details of the Drug | DrugMAP

General Information of Drug (ID: DMHTS5G)

Drug Name	Fused heterocyclic compound 4
Synonyms	PMID27841045-Compound-126
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			283.31
	Logarithm of the Partition Coefficient (xlogp)			2.7
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C14H9N3O2S IUPAC Name 2-(7-cyano-1H-indol-5-yl)-4-methyl-1,3-thiazole-5-carboxylic acid Canonical SMILES CC1=C(SC(=N1)C2=CC(=C3C(=C2)C=CN3)C#N)C(=O)O InChI InChI=1S/C14H9N3O2S/c1-7-12(14(18)19)20-13(17-7)9-4-8-2-3-16-11(8)10(5-9)6-15/h2-5,16H,1H3,(H,18,19) InChIKey QJWAUWFGCGISKV-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 46199345 TTD ID D03JDR

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Xanthine dehydrogenase/oxidase (XDH)	TT7RJY8	XDH_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	An updated patent review: xanthine oxidase inhibitors for the treatment of hyperuricemia and gout (2011-2015).Expert Opin Ther Pat. 2017 Mar;27(3):311-345.