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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1437764
CHEMBL1437764
Compound Name CLIMBAZOLE
ChEMBL Synonyms CLIMBAZOLE
Max Phase 0
Trade Names
Molecular Formula C15H17ClN2O2

Additional synonyms for CHEMBL1437764 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2ccnc2
Standard InChI InChI=1S/C15H17ClN2O2/c1-15(2,3)13(19)14(18-9-8-17-10-18)20- ...
Download InChI
Standard InChI Key OWEGWHBOCFMBLP-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1437764

Molecule Features

CHEMBL1437764 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov CLIMBAZOLE
The Cochrane Collaboration CLIMBAZOLE

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 CHEMBL1437764. 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
CHEMBL5141 Cytochrome P450 26A1 Homo sapiens 1.000
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000
CHEMBL340 Cytochrome P450 3A4 Homo sapiens 0.991
CHEMBL4028 Thromboxane-A synthase Rattus norvegicus 0.919
CHEMBL3622 Cytochrome P450 2C19 Homo sapiens 0.603

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL5141 Cytochrome P450 26A1 Homo sapiens 1.000
CHEMBL3859 Cytochrome P450 19A1 Rattus norvegicus 1.000
CHEMBL4028 Thromboxane-A synthase Rattus norvegicus 0.765

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
292.8 292.0979 3.73 4 44.12 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
4 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.66 3.49 3.48 2 20 0.86

Structural Alerts

There are 1 structural alerts for CHEMBL1437764. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:OWEGWHBOCFMBLP-UHFFFAOYSA-N
PubChem SID: 144205896 SID: 170465557 SID: 29217911

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1437764



ACToR 38083-17-9
ChEBI 83719
ChemicalBook CB8671477
DrugCentral 5064
eMolecules 500850
EPA CompTox Dashboard DTXSID6046555
IBM Patent System DF33534E5EF2FFC3B57887646136ACF3
LINCS LSM-45377
MolPort MolPort-003-930-899
Nikkaji J19.421B
NMRShiftDB 20208291
PubChem 37907
PubChem: Drugs of the Future 22395363
PubChem: Thomson Pharma 15072391
Selleck climbazole
SureChEMBL SCHEMBL39729

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