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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1256361
CHEMBL1256361
Compound Name IPRONIAZID PHOSPHATE
ChEMBL Synonyms Iproniazid Phosphate
Max Phase 0
Trade Names
Molecular Formula C9H16N3O5P

Additional synonyms for CHEMBL1256361 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)NNC(=O)c1ccncc1.OP(=O)(O)O
Standard InChI InChI=1S/C9H13N3O.H3O4P/c1-7(2)11-12-9(13)8-3-5-10-6-4-8;1-5 ...
Download InChI
Standard InChI Key YPDVTKJXVHYWFY-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature

Alternate Forms of Compound in ChEMBL


CHEMBL1256361

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 CHEMBL1256361. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:YPDVTKJXVHYWFY-UHFFFAOYSA-N
PubChem SID: 11533071 SID: 50106453 SID: 50106454

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1256361



ACToR 305-33-9
eMolecules 6880902
FDA SRS 8DE00V62TV
MolPort MolPort-003-941-839
PubChem 9367
PubChem: Thomson Pharma 14872872
SureChEMBL SCHEMBL158555

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