Details of the Drug | DrugMAP

General Information of Drug (ID: DMXPO6T)

Drug Name	PMID27841045-Compound-133
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			289.29
	Logarithm of the Partition Coefficient (xlogp)			2.5
	Rotatable Bond Count (rotbonds)			3
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C17H11N3O2 IUPAC Name 2-(3-cyano-4-phenylpyrrol-1-yl)pyridine-4-carboxylic acid Canonical SMILES C1=CC=C(C=C1)C2=CN(C=C2C#N)C3=NC=CC(=C3)C(=O)O InChI InChI=1S/C17H11N3O2/c18-9-14-10-20(11-15(14)12-4-2-1-3-5-12)16-8-13(17(21)22)6-7-19-16/h1-8,10-11H,(H,21,22) InChIKey XMNOTSLRNISRFW-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 25052195 TTD ID D0AU8E

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)

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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.