Details of the Drug | DrugMAP

General Information of Drug (ID: DMH8Q4T)

Drug Name	Azole benzene derivative 3
Synonyms	PMID27841045-Compound-148
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			359.4
	Logarithm of the Partition Coefficient (xlogp)			3.5
	Rotatable Bond Count (rotbonds)			6
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			8
Chemical Identifiers	Formula C16H17N5O3S IUPAC Name 4-methyl-2-[4-(2-methylpropoxy)-3-(tetrazol-1-yl)phenyl]-1,3-thiazole-5-carboxylic acid Canonical SMILES CC1=C(SC(=N1)C2=CC(=C(C=C2)OCC(C)C)N3C=NN=N3)C(=O)O InChI InChI=1S/C16H17N5O3S/c1-9(2)7-24-13-5-4-11(6-12(13)21-8-17-19-20-21)15-18-10(3)14(25-15)16(22)23/h4-6,8-9H,7H2,1-3H3,(H,22,23) InChIKey DKEWYKIZSPDHOY-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 78322612 TTD ID D0J3ZM

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.