Details of the Drug | DrugMAP

General Information of Drug (ID: DMJBGHL)

Drug Name	Azaindole derivative 6
Synonyms	PMID27841045-Compound-141
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			293.28
	Logarithm of the Partition Coefficient (xlogp)			2.9
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C16H11N3O3 IUPAC Name 4-(7-cyano-2-methylpyrrolo[1,2-b]pyridazin-5-yl)-2-hydroxybenzoic acid Canonical SMILES CC1=NN2C(=C(C=C2C#N)C3=CC(=C(C=C3)C(=O)O)O)C=C1 InChI InChI=1S/C16H11N3O3/c1-9-2-5-14-13(7-11(8-17)19(14)18-9)10-3-4-12(16(21)22)15(20)6-10/h2-7,20H,1H3,(H,21,22) InChIKey OVRDXWKIIUUQMR-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 56949422 TTD ID D0J5GS

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.