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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL2074922
CHEMBL2074922
Compound Name EFONIDIPINE
ChEMBL Synonyms EFONIDIPINE | EFONIDIPINE HYDROCHLORIDE
Max Phase 0
Trade Names
Molecular Formula C34H38N3O7P

Additional synonyms for CHEMBL2074922 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CC1=C(C(C(=C(C)N1)P2(=O)OCC(C)(C)CO2)c3cccc(c3)[N+](=O)[O-]) ...
Download SMILES
Standard InChI InChI=1S/C34H38N3O7P/c1-24-30(33(38)42-19-18-36(28-15-9-6-10 ...
Download InChI
Standard InChI Key NSVFSAJIGAJDMR-UHFFFAOYSA-N

Sources

  • PubChem BioAssays
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL2074922

Molecule Features

CHEMBL2074922 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 EFONIDIPINE
The Cochrane Collaboration EFONIDIPINE

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
631.7 631.2447 7.3 10 120.24 NEUTRAL


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


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 4.03 5.78 5.78 3 45 0.11

Structural Alerts

There are 13 structural alerts for CHEMBL2074922. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:NSVFSAJIGAJDMR-UHFFFAOYSA-N
PubChem SID: 144206968

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL2074922



ACToR 111011-63-3
ChEBI 135859
DrugBank DB09235
DrugCentral 992
EPA CompTox Dashboard DTXSID9043988
MolPort MolPort-005-940-716
PubChem 119171
PubChem: Thomson Pharma 14912349
SureChEMBL SCHEMBL49637

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