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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1697833
CHEMBL1697833
Compound Name CLORTERMINE
ChEMBL Synonyms SU-10568 | CLORTERMINE | CLORTERMINE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C10H14ClN

Additional synonyms for CHEMBL1697833 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)(N)Cc1ccccc1Cl
Standard InChI InChI=1S/C10H14ClN/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6H,7,12H ...
Download InChI
Standard InChI Key HXCXASJHZQXCKK-UHFFFAOYSA-N

Sources

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

Alternate Forms of Compound in ChEMBL


CHEMBL1697833

Molecule Features

CHEMBL1697833 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

ClinicalTrials.gov CLORTERMINE
The Cochrane Collaboration CLORTERMINE

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 CHEMBL1697833. 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 0.771
CHEMBL228 Serotonin transporter Homo sapiens 0.212
CHEMBL284 Dipeptidyl peptidase IV Homo sapiens 0.210

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL222 Norepinephrine transporter Homo sapiens 0.648

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
183.7 183.0815 2.5 2 26.02 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 9.6 2.79 .63 1 12 0.75

Structural Alerts

There are no structural alerts for CHEMBL1697833

Compound Cross References

ChemSpider ChemSpider:HXCXASJHZQXCKK-UHFFFAOYSA-N
PubChem SID: 170466437
Wikipedia Clortermine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1697833



ACToR 10389-73-8
ChEBI 134826
DrugBank DB01527
DrugCentral 715
EPA CompTox Dashboard DTXSID0022850
FDA SRS 4FA88HM3IX
IBM Patent System A0455287DF045DABD681E5E6C64B9EDD
Mcule MCULE-1105703919
Nikkaji J10.469H
PubChem 25223
PubChem: Thomson Pharma 16936179
SureChEMBL SCHEMBL164137
ZINC ZINC000000001204

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