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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL92401
CHEMBL92401
Compound Name IPRONIAZID
ChEMBL Synonyms Iproniazide | Iproniazid Phosphate | IPRONIAZID | MARSILID
Max Phase 4 (Approved)
Trade Names MARSILID
Molecular Formula C9H13N3O

Additional synonyms for CHEMBL92401 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NNC(=O)c1ccncc1
Standard InChI InChI=1S/C9H13N3O/c1-7(2)11-12-9(13)8-3-5-10-6-4-8/h3-7,11H, ...
Download InChI
Standard InChI Key NYMGNSNKLVNMIA-UHFFFAOYSA-N

Sources

  • AstraZeneca Deposited Data
  • British National Formulary
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Open TG-GATEs
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL92401

Molecule Features

CHEMBL92401 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Achiral Molecule Prodrug:N Oral:N Parenteral:N Topical:N Black Box:N Availability Type:Unknown

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Depressive DisorderD003866EFO:0003761unipolar depression4ATC

Clinical Data

ClinicalTrials.gov IPRONIAZID
The Cochrane Collaboration IPRONIAZID

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
179.2 179.1059 0.72 3 54.02 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
3 2 0 4 2 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
11.28 3.62 .41 .41 1 13 0.67

Structural Alerts

There are 6 structural alerts for CHEMBL92401. To view alerts please click here.

Compound Cross References

ATC N - NERVOUS SYSTEM
N06 - PSYCHOANALEPTICS
N06A - ANTIDEPRESSANTS
N06AF - Monoamine oxidase inhibitors, non-selective
N06AF05 - iproniazide

ChemSpider ChemSpider:NYMGNSNKLVNMIA-UHFFFAOYSA-N
PubChem SID: 11111333 SID: 11111334 SID: 50111104 SID: 90341605
Wikipedia Iproniazid

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL92401



ACToR 54-92-2
Atlas iproniazid
BindingDB 29136
Brenda 163220 44274 5558 8118
ChEBI 5958
DrugBank DB04818
DrugCentral 1480
eMolecules 711451
EPA CompTox Dashboard DTXSID5023168
FDA SRS D892HFI3XA
IBM Patent System 6578CBC281FD1BBC621304ACE3BCEC41
KEGG Ligand C11777
LINCS LSM-5940
MolPort MolPort-001-783-583
Nikkaji J4.158K
PubChem 3748
PubChem: Thomson Pharma 15195153
SureChEMBL SCHEMBL4153
ZINC ZINC000000001579

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