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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 | CLOPANE HYDROCHLORIDE | CYCLOPENTAMINE 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

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

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

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 NEUTRAL


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
- 5.7 4.92 4.91 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
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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