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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1237132
CHEMBL1237132
Compound Name CLEVIDIPINE
ChEMBL Synonyms CLEVIPREX | CLEVIDIPINE BUTYRATE | CLEVIDIPINE
Max Phase 4 (Approved)
Trade Names CLEVIPREX
Molecular Formula C21H23Cl2NO6

Additional synonyms for CHEMBL1237132 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCCC(=O)OCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C
Standard InChI InChI=1S/C21H23Cl2NO6/c1-5-7-15(25)29-10-30-21(27)17-12(3)24 ...
Download InChI
Standard InChI Key KPBZROQVTHLCDU-UHFFFAOYSA-N

Sources

  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1237132

Molecule Features

CHEMBL1237132 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:N Parenteral:Y Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Voltage-gated L-type calcium channel blocker Voltage-gated L-type calcium channel DailyMed

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
ScoliosisD012600EFO:0004273scoliosis2ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC
HypertensionD006973EFO:0000537hypertension3ClinicalTrials

Clinical Data

ClinicalTrials.gov CLEVIDIPINE
The Cochrane Collaboration CLEVIDIPINE

Compound Bioactivity Summary

Compound Assay Summary

Compound Target Summary

Target Predictions

The two tables below display ChEMBL single-protein targets which are predicted to interact with CHEMBL1237132. A 1uM and 10 uM cut-off have been applied to ChEMBL bioactivity data used to generate the respective models and the yellow coloured rows correspond to genuine predictions, i.e. targets not included in the original training set for this compound.


1uM


ChEMBL_ID Target Name Organism Score
CHEMBL2830 Voltage-gated L-type calcium channel alpha-1C subunit Oryctolagus cuniculus 1.000
CHEMBL2366456 Voltage-dependent L-type calcium channel subunit alpha-1C Cavia porcellus 1.000
CHEMBL4132 Voltage-gated L-type calcium channel alpha-1D subunit Rattus norvegicus 1.000
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 1.000
CHEMBL1940 Voltage-gated L-type calcium channel alpha-1C subunit Homo sapiens 0.999
CHEMBL1994 Mineralocorticoid receptor Homo sapiens 0.645
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.552
CHEMBL2392 DNA polymerase beta Homo sapiens 0.225



10uM


ChEMBL_ID Target Name Organism Score
CHEMBL2366456 Voltage-dependent L-type calcium channel subunit alpha-1C Cavia porcellus 1.000
CHEMBL2830 Voltage-gated L-type calcium channel alpha-1C subunit Oryctolagus cuniculus 1.000
CHEMBL4132 Voltage-gated L-type calcium channel alpha-1D subunit Rattus norvegicus 1.000
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 1.000
CHEMBL1940 Voltage-gated L-type calcium channel alpha-1C subunit Homo sapiens 0.999
CHEMBL4267 TGF-beta receptor type II Homo sapiens 0.901
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.524
CHEMBL1994 Mineralocorticoid receptor Homo sapiens 0.274

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
456.3 455.0902 4.25 7 90.93 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
7 1 0 7 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.45 5.11 5.11 1 30 0.48

Structural Alerts

There are 7 structural alerts for CHEMBL1237132. 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
C08CA16 - clevidipine

ChemSpider ChemSpider:KPBZROQVTHLCDU-UHFFFAOYSA-N
DailyMed clevidipine
PubChem SID: 170466066

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1237132



ACToR 166432-28-6 167221-71-8
BindingDB 50088387
ChEBI 135738
DrugBank DB04920
DrugCentral 674
eMolecules 30152688
EPA CompTox Dashboard DTXSID6057661
Guide to Pharmacology 7468
Mcule MCULE-6863602192
MolPort MolPort-020-006-047
Nikkaji J772.200A
PubChem 153994
PubChem: Drugs of the Future 12015001
PubChem: Thomson Pharma 14857919
Selleck cleviprex-clevidipine
SureChEMBL SCHEMBL115522

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