Details of the Drug | DrugMAP

General Information of Drug (ID: DMD2BL3)

Drug Name	Azaindole derivative 5
Synonyms	PMID27841045-Compound-140
Drug Type	Small molecular drug
Structure
Structure	3D MOL			2D MOL
#Ro5 Violations (Lipinski): 0	Molecular Weight (mw)			279.25
	Topological Polar Surface Area (xlogp)			2.2
	Rotatable Bond Count (rotbonds)			2
	Hydrogen Bond Donor Count (hbonddonor)			2
	Hydrogen Bond Acceptor Count (hbondacc)			5
Chemical Identifiers	Formula C15H9N3O3 IUPAC Name 4-(5-cyanopyrrolo[1,2-b]pyridazin-7-yl)-2-hydroxybenzoic acid Canonical SMILES C1=CC2=C(C=C(N2N=C1)C3=CC(=C(C=C3)C(=O)O)O)C#N InChI InChI=1S/C15H9N3O3/c16-8-10-6-13(18-12(10)2-1-5-17-18)9-3-4-11(15(20)21)14(19)7-9/h1-7,19H,(H,20,21) InChIKey NSOWXVMDKNRRTI-UHFFFAOYSA-N
Cross-matching ID	PubChem CID 56949445 TTD ID D00GMJ

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.
2	Allopurinol: xanthine oxidase inhibitor. Tex Med. 1966 Jan;62(1):100-1.
3	Clinical pipeline report, company report or official report of Takeda (2009).
4	Drugs@FDA. U.S. Food and Drug Administration. U.S. Department of Health Human Services. 2021
5	Inhibition studies of bovine xanthine oxidase by luteolin, silibinin, quercetin, and curcumin. J Nat Prod. 2009 Apr;72(4):725-31.
6	Oxypurinol as an inhibitor of xanthine oxidase-catalyzed production of superoxide radical. Biochem Pharmacol. 1988 Jan 15;37(2):349-52.
7	Inhibition of cow's milk xanthine oxidase by flavonoids. J Nat Prod. 1988 Mar-Apr;51(2):345-8.
8	QT/QTc study conducted in Japanese adult healthy subjects: a novel xanthine oxidase inhibitor topiroxostat was not associated with QT prolongation. J Clin Pharmacol. 2014 Apr;54(4):446-52.
9	Clinical pipeline report, company report or official report of Teijin Pharma.
10	Pharmacokinetics, pharmacodynamics, and tolerability of LC350189, a novel xanthine oxidase inhibitor, in healthy subjects. Drug Des Devel Ther. 2015 Aug 31;9:5033-49.