Details of the Drug | DrugMAP

General Information of Drug (ID: DMR7MBY)

Drug Name	PMID27841045-Compound-143
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			317.3
	Logarithm of the Partition Coefficient (xlogp)			2.5
	Rotatable Bond Count (rotbonds)			4
	Hydrogen Bond Donor Count (hbonddonor)			1
	Hydrogen Bond Acceptor Count (hbondacc)			4
Chemical Identifiers	Formula C19H15N3O2 IUPAC Name 2-[3-cyano-1-(cyclopropylmethyl)indol-5-yl]pyridine-4-carboxylic acid Canonical SMILES C1CC1CN2C=C(C3=C2C=CC(=C3)C4=NC=CC(=C4)C(=O)O)C#N InChI InChI=1S/C19H15N3O2/c20-9-15-11-22(10-12-1-2-12)18-4-3-13(7-16(15)18)17-8-14(19(23)24)5-6-21-17/h3-8,11-12H,1-2,10H2,(H,23,24) InChIKey MHJSHOXSYFENTO-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 51353128 TTD ID D0Z2IO

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.