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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL116943
CHEMBL116943
Compound Name PENTYLENETETRAZOL
ChEMBL Synonyms Pentetrazol | Pentylenetetrazol | Cardiazol | Pentamethylenetetrazol
Max Phase 0
Trade Names
Molecular Formula C6H10N4

Additional synonyms for CHEMBL116943 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES C1CCc2nnnn2CC1
Standard InChI InChI=1S/C6H10N4/c1-2-4-6-7-8-9-10(6)5-3-1/h1-5H2
Standard InChI Key CWRVKFFCRWGWCS-UHFFFAOYSA-N

Molecule Features

CHEMBL116943 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

Number of clinical trials registered at clinicaltrials.gov
Number of reviews at The Cochrane Collaboration
Number of entries at British National Formulary

Structural Alerts

There are no structural alerts for CHEMBL116943

Alternate Forms of Compound in ChEMBL


CHEMBL116943

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
138.2 138.0905 0.57 0 43.6 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 0 0 4 0 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 1.25 .14 .14 1 10 0.53

Compound Cross References

ATC R - RESPIRATORY SYSTEM
R07 - OTHER RESPIRATORY SYSTEM PRODUCTS
R07A - OTHER RESPIRATORY SYSTEM PRODUCTS
R07AB - Respiratory stimulants
R07AB53 - pentetrazol, combinations

R - RESPIRATORY SYSTEM
R07 - OTHER RESPIRATORY SYSTEM PRODUCTS
R07A - OTHER RESPIRATORY SYSTEM PRODUCTS
R07AB - Respiratory stimulants
R07AB03 - pentetrazol

ChemSpider ChemSpider:CWRVKFFCRWGWCS-UHFFFAOYSA-N
PubChem SID: 11111647 SID: 11111648 SID: 124881152 SID: 26747621 SID: 50106807 SID: 90341004
Wikipedia Pentylenetetrazol

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL116943



ACToR 54-95-5
ChEBI 34910
eMolecules 593721
EPA CompTox Dashboard DTXSID7041091
FDA SRS WM5Z385K7T
IBM Patent System 6732D2D1AABA00379C89873F22D9B122
KEGG Ligand C13692
LINCS LSM-3287
Mcule MCULE-7519359961
MolPort MolPort-001-783-580
Nikkaji J22.644K
PubChem 5917
PubChem: Thomson Pharma 15321455
SureChEMBL SCHEMBL22674
ZINC ZINC00001905

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