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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL329203
CHEMBL329203
Compound Name CYCLOPENTAMINE
ChEMBL Synonyms CYCLOPENTAMINE | CYCLOPENTAMINE HYDROCHLORIDE | CLOPANE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C9H19N

Additional synonyms for CHEMBL329203 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CNC(C)CC1CCCC1
Standard InChI InChI=1S/C9H19N/c1-8(10-2)7-9-5-3-4-6-9/h8-10H,3-7H2,1-2H3
Standard InChI Key HFXKQSZZZPGLKQ-UHFFFAOYSA-N

Sources

  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL329203

Molecule Features

CHEMBL329203 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 CYCLOPENTAMINE
The Cochrane Collaboration CYCLOPENTAMINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
141.3 141.1517 2.28 3 12.03 BASE


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 10.83 2.46 -.48 0 10 0.64

Structural Alerts

There are no structural alerts for CHEMBL329203

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R01 - NASAL PREPARATIONS
R01A - DECONGESTANTS AND OTHER NASAL PREPARATIONS FOR TOPICAL USE
R01AA - Sympathomimetics, plain
R01AA02 - cyclopentamine

ChemSpider ChemSpider:HFXKQSZZZPGLKQ-UHFFFAOYSA-N
Wikipedia Cyclopentamine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL329203



ACToR 102-45-4
BindingDB 81456
ChEBI 134766
DrugBank DB08999
DrugCentral 755
IBM Patent System 200538AE15497A605ED45EDD76F01929
MolPort MolPort-006-151-250
Nikkaji J5.008C
PubChem 7608
PubChem: Thomson Pharma 15437284
SureChEMBL SCHEMBL249708

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