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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1192491
CHEMBL1192491
Compound Name CICLAZINDOL
ChEMBL Synonyms WY-23,409 | CICLAZINDOL
Max Phase 0
Trade Names
Molecular Formula C17H15ClN2O

Additional synonyms for CHEMBL1192491 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES OC1(C2=NCCCN2c3ccccc13)c4cccc(Cl)c4
Standard InChI InChI=1S/C17H15ClN2O/c18-13-6-3-5-12(11-13)17(21)14-7-1-2-8- ...
Download InChI
Standard InChI Key VKQDZNZTPGLGFD-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1192491

Molecule Features

CHEMBL1192491 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 CICLAZINDOL
The Cochrane Collaboration CICLAZINDOL

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 CHEMBL1192491. 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
CHEMBL222 Norepinephrine transporter Homo sapiens 0.987
CHEMBL238 Dopamine transporter Homo sapiens 0.943
CHEMBL228 Serotonin transporter Homo sapiens 0.717
CHEMBL4822 Beta-secretase 1 Homo sapiens 0.498
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.211

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL222 Norepinephrine transporter Homo sapiens 0.983
CHEMBL238 Dopamine transporter Homo sapiens 0.972
CHEMBL228 Serotonin transporter Homo sapiens 0.954
CHEMBL4822 Beta-secretase 1 Homo sapiens 0.653
CHEMBL217 Dopamine D2 receptor Homo sapiens 0.250

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
298.8 298.0873 2.73 1 35.83 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 1 0 3 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
10.34 12.08 1.18 -.81 2 21 0.88

Structural Alerts

There are 2 structural alerts for CHEMBL1192491. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:VKQDZNZTPGLGFD-UHFFFAOYSA-N

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1192491



ACToR 37751-39-6
IBM Patent System D325A2392740A058D4D6C474124BB349
Nikkaji J17.425D
PubChem 37825
PubChem: Drugs of the Future 12012836
PubChem: Thomson Pharma 14918487
SureChEMBL SCHEMBL122673

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