Details of the Drug | DrugMAP

General Information of Drug (ID: DMCQB93)

Drug Name	PMID27841045-Compound-132
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			294.26
	Logarithm of the Partition Coefficient (xlogp)			2.5
	Rotatable Bond Count (rotbonds)			3
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C16H10N2O4 IUPAC Name 4-[3-cyano-4-(furan-2-yl)pyrrol-1-yl]-2-hydroxybenzoic acid Canonical SMILES C1=COC(=C1)C2=CN(C=C2C#N)C3=CC(=C(C=C3)C(=O)O)O InChI InChI=1S/C16H10N2O4/c17-7-10-8-18(9-13(10)15-2-1-5-22-15)11-3-4-12(16(20)21)14(19)6-11/h1-6,8-9,19H,(H,20,21) InChIKey ZWZQFNSOFGQISH-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 59478131 TTD ID D0B5QZ

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.