Drug General Information
Drug ID	D06ABW
Former ID	DNC011356
Drug Name	CLIOQUINOL
Drug Type	Small molecular drug
Indication	Discovery agent		Withdrawn from market	[1]
Structure		Download 2D MOL 3D MOL
Formula	C9H5ClINO
Canonical SMILES	C1=CC2=C(C(=C(C=C2Cl)I)O)N=C1
InChI	1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H
InChIKey	QCDFBFJGMNKBDO-UHFFFAOYSA-N
CAS Number	CAS 130-26-7
PubChem Compound ID	2788
SuperDrug ATC ID	D08AH30; D09AA10; G01AC02; P01AA02; S02AA05
Target and Pathway
Target(s)	Carbonic anhydrase	Target Info	Inhibitor	[2]
	Kappa-type opioid receptor	Target Info	Inhibitor	[3]
KEGG Pathway	Neuroactive ligand-receptor interaction
PANTHER Pathway	Heterotrimeric G-protein signaling pathway-Gi alpha and Gs alpha mediated pathway
	Heterotrimeric G-protein signaling pathway-Gq alpha and Go alpha mediated pathway
	Opioid prodynorphin pathway
Reactome	Peptide ligand-binding receptors
	G alpha (i) signalling events
WikiPathways	GPCRs, Class A Rhodopsin-like
	Peptide GPCRs
	GPCR ligand binding
	GPCR downstream signaling
References
REF 1	ClinicalTrials.gov (NCT00963495) Study Evaluating the Tolerance and Biological Activity of Oral Clioquinol in Patients With Relapsed or Refractory Hematological Malignancy. U.S. National Institutes of Health.
REF 2	Bioorg Med Chem Lett. 2008 Jun 15;18(12):3593-6. Epub 2008 May 4.Carbonic anhydrase inhibitors: Inhibition of the new membrane-associated isoform XV with phenols.
REF 3	Bioorg Med Chem Lett. 2010 Dec 15;20(24):7331-6. Epub 2010 Oct 21.In silico identification and biochemical evaluation of novel inhibitors of NRH:quinone oxidoreductase 2 (NQO2).

If You Find Any Error in Data or Bug in Web Service, Please Kindly Report It to Dr. Zhou and Dr. Zhang.