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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1089
CHEMBL1089
Compound Name PHENELZINE
ChEMBL Synonyms PHENELZINE SULFATE | PHENELZINE | Nardil | NARDIL
Max Phase 4 (Approved)
Trade Names NARDIL | PHENELZINE SULFATE
Molecular Formula C8H12N2

Additional synonyms for CHEMBL1089 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES NNCCc1ccccc1
Standard InChI InChI=1S/C8H12N2/c9-10-7-6-8-4-2-1-3-5-8/h1-5,10H,6-7,9H2
Standard InChI Key RMUCZJUITONUFY-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • Curated Drug Metabolism Pathways
  • DrugMatrix
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1089

Molecule Features

CHEMBL1089 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:Y Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Monoamine oxidase inhibitor Monoamine oxidase FDA

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Depressive DisorderD003866EFO:0003761unipolar depression4ATC
Prostatic NeoplasmsD011471EFO:0000673prostate adenocarcinoma2ClinicalTrials

Clinical Data

ClinicalTrials.gov PHENELZINE
The Cochrane Collaboration PHENELZINE

Metabolites for CHEMBL1089

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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
136.2 136.1 0.69 3 38.05 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
2 2 0 2 3 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.02 .3 -.51 1 10 0.47

Structural Alerts

There are 5 structural alerts for CHEMBL1089. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06A - ANTIDEPRESSANTS
N06AF - Monoamine oxidase inhibitors, non-selective
N06AF03 - phenelzine

ChemSpider ChemSpider:RMUCZJUITONUFY-UHFFFAOYSA-N
DailyMed phenelzine sulfate
PubChem SID: 11111653 SID: 11111654 SID: 174006798 SID: 50111200 SID: 90341694
Wikipedia Phenelzine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1089



ACToR 51-71-8
BindingDB 50105417
Brenda 31012 7268 108164 5601
ChEBI 8060
DrugBank DB00780
DrugCentral 2123
eMolecules 1987170
EPA CompTox Dashboard DTXSID2041094
FDA SRS O408N561GF
Guide to Pharmacology 7266
Human Metabolome Database HMDB0014918
IBM Patent System F484C6DCFFC08118224D7D07C06DD841
KEGG Ligand C07430
LINCS LSM-5928
Mcule MCULE-2911295500
MolPort MolPort-003-991-749
NIH Clinical Collection SAM002589985
Nikkaji J4.125D
PharmGKB PA450903
PubChem 3675
PubChem: Thomson Pharma 15297289
SureChEMBL SCHEMBL34335
ZINC ZINC000019166991

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