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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL250270
CHEMBL250270
Compound Name LERCANIDIPINE
ChEMBL Synonyms ZANICOR | LERZAM | LERCATON | LERCAPIN | CORIFEO | CARMEN | CARDIOVASC | LERKAMEN | LERCANIDIPINE HYDROCHLORIDE | LERCADIP | ZANIDIP | ZANDIP | RENOVIA | LERCANIDIPINE | LERCAN | REC-15/2375 | VASODIP
Max Phase 4 (Approved)
Trade Names LERCAN | LERZAM | ZANICOR | CARDIOVASC | CARMEN | CORIFEO | LERCAPIN | LERCATON | VASODIP | LERCADIP | LERKAMEN | RENOVIA | ZANDIP | ZANIDIP
Molecular Formula C36H41N3O6

Additional synonyms for CHEMBL250270 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES COC(=O)C1=C(C)NC(=C(C1c2cccc(c2)[N+](=O)[O-])C(=O)OC(C)(C)CN ...
Download SMILES
Standard InChI InChI=1S/C36H41N3O6/c1-24-31(34(40)44-6)33(28-18-13-19-29(22 ...
Download InChI
Standard InChI Key ZDXUKAKRHYTAKV-UHFFFAOYSA-N

Sources

  • British National Formulary
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL250270

Molecule Features

CHEMBL250270 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture 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
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
Essential HypertensionD000075222EFO:1002032primary hypertension2ClinicalTrials
HypertensionD006973EFO:0000537hypertension3ClinicalTrials

Clinical Data

ClinicalTrials.gov LERCANIDIPINE
The Cochrane Collaboration LERCANIDIPINE

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
611.7 611.2995 6.48 12 111.01 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
8 1 2 9 1 2


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.66 7.56 6.27 3 45 0.14

Structural Alerts

There are 7 structural alerts for CHEMBL250270. To view alerts please click here.

Compound Cross References

ATC C - CARDIOVASCULAR SYSTEM
C08 - CALCIUM CHANNEL BLOCKERS
C08C - SELECTIVE CALCIUM CHANNEL BLOCKERS WITH MAINLY VASCULAR EFFECTS
C08CA - Dihydropyridine derivatives
C08CA13 - lercanidipine

ChemSpider ChemSpider:ZDXUKAKRHYTAKV-UHFFFAOYSA-N
PubChem SID: 50112745 SID: 90340703
Wikipedia Lercanidipine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL250270



ACToR 100427-26-7
Brenda 196829
ChEBI 135930
DrugBank DB00528
DrugCentral 4157
eMolecules 2728747
EPA CompTox Dashboard DTXSID2048327
Human Metabolome Database HMDB0014669
Mcule MCULE-2762147672
MolPort MolPort-005-935-354
PharmGKB PA164769058
PubChem 65866
PubChem: Thomson Pharma 14789544
SureChEMBL SCHEMBL25268

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