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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL313833
CHEMBL313833
Compound Name TRANYLCYPROMINE
ChEMBL Synonyms TRANYLCYPROMINE SULFATE | PARNATE | 2-Phenyl-Cyclopropylamine Hydrochloride
Max Phase 0
Trade Names
Molecular Formula C9H11N

Additional synonyms for CHEMBL313833 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NC1CC1c2ccccc2
Standard InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2
Standard InChI Key AELCINSCMGFISI-UHFFFAOYSA-N

Sources

  • BindingDB Database
  • FDA Approval Packages
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL313833

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
133.2 133.0891 1.5 1 26.02 NEUTRAL


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
- 8.24 1.47 .58 1 10 0.62

Structural Alerts

There are no structural alerts for CHEMBL313833

Compound Cross References

ChemSpider ChemSpider:AELCINSCMGFISI-UHFFFAOYSA-N
PubChem SID: 174006850 SID: 90340789

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL313833



BindingDB 50113851
Brenda 21775 2361 220433
ChEBI 131512
DrugBank DB00752
eMolecules 30179064
Guide to Pharmacology 5281
IBM Patent System 3DC06870336DFDD29758F938EF2FF037
Mcule MCULE-7015811838
MolPort MolPort-008-545-500
Nikkaji J1I
PubChem 5530
SureChEMBL SCHEMBL40651

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