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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL224325
CHEMBL224325
Compound Name CHLORQUINALDOL
ChEMBL Synonyms CLORQUINALDOL | CHLORQUINALDOL
Max Phase 0
Trade Names
Molecular Formula C10H7Cl2NO

Additional synonyms for CHEMBL224325 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cc1ccc2c(Cl)cc(Cl)c(O)c2n1
Standard InChI InChI=1S/C10H7Cl2NO/c1-5-2-3-6-7(11)4-8(12)10(14)9(6)13-5/h2 ...
Download InChI
Standard InChI Key GPTXWRGISTZRIO-UHFFFAOYSA-N

Alternate Forms of Compound in ChEMBL


CHEMBL224325

Molecule Features

CHEMBL224325 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL224325. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL1800 Corticotropin releasing factor receptor 1 Homo sapiens 0.674
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.296

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5192 Botulinum neurotoxin type A Clostridium botulinum 0.989
CHEMBL1800 Corticotropin releasing factor receptor 1 Homo sapiens 0.684
CHEMBL3687 Arachidonate 12-lipoxygenase Homo sapiens 0.446

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
228.1 226.9905 3.39 0 33.12 ACID


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 1 0 2 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
2.47 7.51 3.51 1.55 2 14 0.75

Structural Alerts

There are no structural alerts for CHEMBL224325

Compound Cross References

ATC D - DERMATOLOGICALS
D08 - ANTISEPTICS AND DISINFECTANTS
D08A - ANTISEPTICS AND DISINFECTANTS
D08AH - Quinoline derivatives
D08AH02 - chlorquinaldol

P - ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
P01 - ANTIPROTOZOALS
P01A - AGENTS AGAINST AMOEBIASIS AND OTHER PROTOZOAL DISEASES
P01AA - Hydroxyquinoline derivatives
P01AA04 - chlorquinaldol

R - RESPIRATORY SYSTEM
R02 - THROAT PREPARATIONS
R02A - THROAT PREPARATIONS
R02AA - Antiseptics
R02AA11 - chlorquinaldol

G - GENITO URINARY SYSTEM AND SEX HORMONES
G01 - GYNECOLOGICAL ANTIINFECTIVES AND ANTISEPTICS
G01A - ANTIINFECTIVES AND ANTISEPTICS, EXCL. COMBINATIONS
G01AC - Quinoline derivatives
G01AC03 - chlorquinaldol

ChemSpider ChemSpider:GPTXWRGISTZRIO-UHFFFAOYSA-N
PubChem SID: 124891968 SID: 144207039 SID: 170465701 SID: 26749812 SID: 29215181 SID: 89854495
Wikipedia Chlorquinaldol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL224325



ACToR 72-80-0
BindingDB 76302
ChEBI 74500
eMolecules 480496
EPA CompTox Dashboard DTXSID3048998
FDA SRS D6VHC87LLS
IBM Patent System C04A902D8927BBFA97842F64D5B73F0F
Mcule MCULE-9796243224
MolPort MolPort-001-770-140
Nikkaji J5.254J
PubChem 6301
PubChem: Thomson Pharma 15341572
Selleck chlorquinaldol
SureChEMBL SCHEMBL301405
ZINC ZINC00119403

UniChem REST Service Call:
https://www.ebi.ac.uk/unichem/rest/verbose_inchikey/GPTXWRGISTZRIO-UHFFFAOYSA-N spacer
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