CLIOQUINOL

Search structure
Synonyms:
Status: Approved (1982) Withdrawn (1973)
Entry Type: Small molecule
Molecule Category: Parent
ATC: D08AH30
UNII: 7BHQ856EJ5

Structure
InChI Key QCDFBFJGMNKBDO-UHFFFAOYSA-N
Smile Oc1c(I)cc(Cl)c2cccnc12
InChI
InChI=1S/C9H5ClINO/c10-6-4-7(11)9(13)8-5(6)2-1-3-12-8/h1-4,13H

Physicochemical Descriptors

Property Name Value
Molecular Formula C9H5ClINO
Molecular Weight 305.5
AlogP 3.2
Hydrogen Bond Acceptor 2.0
Hydrogen Bond Donor 1.0
Number of Rotational Bond 0.0
Polar Surface Area 33.12
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 13.0

Pharmacology

Action Mechanism of Action Reference
CHELATING AGENT Copper chelating agent
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Enzyme Hydrolase
- 3000 - -
Enzyme Lyase
- - - 2330 -
Enzyme Protease Metallo protease Metallo protease MAE clan Metallo protease M27 family
- 20300 - - -
Enzyme Protease Metallo protease Metallo protease MAM clan Metallo protease M10A subfamily
- 26900 1200 - 83
Enzyme Protease Metallo protease Metallo protease MG clan Metallo protease M24A subfamily
- 80400 - - -
Enzyme Transferase
- 4786.3 - - -4.07-4.018
Epigenetic regulator Eraser Histone deacetylase HDAC class IIb
- - - - -5.68-8.06
Membrane receptor Family A G protein-coupled receptor Peptide receptor (family A GPCR) Short peptide receptor (family A GPCR) Opioid receptor
- 5790 - - -
Membrane receptor
- 9800-100000 - - 1.9-75
Unclassified protein
- 5600 - - 0-54.7

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Eczema 3 D004485 ClinicalTrials
Epilepsy 2 D004827 ClinicalTrials
Leukemia, Myeloid, Acute 1 D015470 ClinicalTrials
Multiple Myeloma 1 D009101 ClinicalTrials
Leukemia, Lymphocytic, Chronic, B-Cell 1 D015451 ClinicalTrials
Lymphoma, Non-Hodgkin 1 D008228 ClinicalTrials
Hodgkin Disease 1 D006689 ClinicalTrials
Myelodysplastic Syndromes 1 D009190 ClinicalTrials

Related Entries

MCS

Scaffolds

Mixture

Cross References

Resources Reference
CAS NUMBER 130-26-7
ChEBI 74460
ChEMBL CHEMBL497
DrugBank DB04815
DrugCentral 681
EPA CompTox DTXSID7022837
FDA SRS 7BHQ856EJ5
PDB CQL
PubChem 2788
SureChEMBL SCHEMBL3967
ZINC ZINC000006409735
CONTENTS