ChEMBL logo

ChEMBL

spacer
ChEMBL Statistics
  Loading Statistics...
spacer

Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1275868
CHEMBL1275868
Compound Name AZELNIDIPINE
ChEMBL Synonyms AZELNIDIPINE
Max Phase 3
Trade Names
Molecular Formula C33H34N4O6

Additional synonyms for CHEMBL1275868 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC(C)OC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC3CN( ...
Download SMILES
Standard InChI InChI=1S/C33H34N4O6/c1-20(2)42-32(38)27-21(3)35-31(34)29(28( ...
Download InChI
Standard InChI Key ZKFQEACEUNWPMT-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1275868

Molecule Features

CHEMBL1275868 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Unclassified Parenteral:Unclassified Topical:Unclassified Black Box:Unclassified Availability Type:Unclassified

Clinical Data

ClinicalTrials.gov AZELNIDIPINE
The Cochrane Collaboration AZELNIDIPINE

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
582.7 582.2478 4.69 9 137.03 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
9 2 1 10 3 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 5.88 5.53 5.51 3 43 0.21

Structural Alerts

There are 6 structural alerts for CHEMBL1275868. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:ZKFQEACEUNWPMT-UHFFFAOYSA-N
PubChem SID: 144205993 SID: 170465756 SID: 174006618 SID: 50112690

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1275868



ACToR 123524-52-7
ChEBI 31247
ChemicalBook CB1781980
DrugBank DB09230
DrugCentral 272
eMolecules 2728648
EPA CompTox Dashboard DTXSID3020120
MolPort MolPort-005-935-331
PubChem 65948
PubChem: Drugs of the Future 12014219
PubChem: Thomson Pharma 14911420
Selleck azelnidipine
SureChEMBL SCHEMBL49021

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