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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1179
CHEMBL1179
Compound Name
ChEMBL Synonyms Tranylcypromine | 2-Phenyl-Cyclopropylamine Hydrochloride | Rel-Tranylcypromine Hydrochloride | Parnate | Tranylcypromine Hydrochloride
Max Phase 0
Trade Names
Molecular Formula C9H11N

Additional synonyms for CHEMBL1179 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES N[C@@H]1C[C@H]1c2ccccc2
Standard InChI InChI=1S/C9H11N/c10-9-6-8(9)7-4-2-1-3-5-7/h1-5,8-9H,6,10H2/t ...
Download InChI
Standard InChI Key AELCINSCMGFISI-DTWKUNHWSA-N

Sources

  • BindingDB Database
  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1179

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 CHEMBL1179

Compound Cross References

ChemSpider ChemSpider:AELCINSCMGFISI-DTWKUNHWSA-N
PubChem SID: 11111676
Wikipedia Tranylcypromine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1179



ACToR 3721-26-4 95-62-5 155-09-9
BindingDB 50240772
Brenda 155988 17612 45951
ChEBI 94631 131510
DrugCentral 2715
EPA CompTox Dashboard DTXSID2023694
IBM Patent System 3F8F9D09BA2570C900953D96C477BC29
LINCS LSM-5578
Nikkaji J9.122G
PDBe GJZ
PubChem 19493
PubChem: Thomson Pharma 16214023
SureChEMBL SCHEMBL34339
ZINC ZINC000001482197

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