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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1480
CHEMBL1480
Compound Name FELODIPINE
ChEMBL Synonyms PARMID XL | H-154/82 | H 154/82 | KELOC SR | VASCALPHA | FELODIPINE | FELOTENS XL | PINEFELD XL | PLENDIL | CARDIOPLEN XL | CABREN | NEOFEL XL | FOLPIK XL | FELOGEN XL | PRESLOW
Max Phase 4 (Approved)
Trade Names PARMID XL | CABREN | CARDIOPLEN XL | PLENDIL | FELOGEN XL | FOLPIK XL | NEOFEL XL | FELODIPINE | FELOTENS XL | PINEFELD XL | PRESLOW | KELOC SR | VASCALPHA
Molecular Formula C18H19Cl2NO4

Additional synonyms for CHEMBL1480 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES CCOC(=O)C1=C(C)NC(=C(C1c2cccc(Cl)c2Cl)C(=O)OC)C
Standard InChI InChI=1S/C18H19Cl2NO4/c1-5-25-18(23)14-10(3)21-9(2)13(17(22) ...
Download InChI
Standard InChI Key RZTAMFZIAATZDJ-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Curated Drug Pharmacokinetic Data
  • DrugMatrix
  • Gene Expression Atlas Compounds
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • TP-search Transporter Database
  • USP Dictionary of USAN and International Drug Names
  • WHO Anatomical Therapeutic Chemical Classification

Alternate Forms of Compound in ChEMBL


CHEMBL1480

Molecule Features

CHEMBL1480 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:Y First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y Parenteral:N Topical:N Black Box:N Availability Type:Prescription-only

Mechanism of Action

Mechanism of Action ChEMBL Target References
Mineralocorticoid receptor antagonist Mineralocorticoid receptor PubMed
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
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease4ATC

Clinical Data

ClinicalTrials.gov FELODIPINE
The Cochrane Collaboration FELODIPINE

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 CHEMBL1480. 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
CHEMBL4132 Voltage-gated L-type calcium channel alpha-1D subunit Rattus norvegicus 1.000
CHEMBL2366456 Voltage-dependent L-type calcium channel subunit alpha-1C Cavia porcellus 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 1.000
CHEMBL1994 Mineralocorticoid receptor Homo sapiens 0.964
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.870
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.807
CHEMBL2392 DNA polymerase beta Homo sapiens 0.583
CHEMBL238 Dopamine transporter Homo sapiens 0.434
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.370
CHEMBL4096 Cellular tumor antigen p53 Homo sapiens 0.356
CHEMBL2608 Lysosomal alpha-glucosidase Homo sapiens 0.326
CHEMBL1287622 Lethal(3)malignant brain tumor-like protein 1 Homo sapiens 0.230



10uM


ChEMBL_ID Target Name Organism Score
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
CHEMBL2366456 Voltage-dependent L-type calcium channel subunit alpha-1C Cavia porcellus 1.000
CHEMBL1940 Voltage-gated L-type calcium channel alpha-1C subunit Homo sapiens 1.000
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 1.000
CHEMBL4267 TGF-beta receptor type II Homo sapiens 0.977
CHEMBL1994 Mineralocorticoid receptor Homo sapiens 0.846
CHEMBL2026 Beta-lactamase AmpC Escherichia coli K-12 0.753
CHEMBL238 Dopamine transporter Homo sapiens 0.671
CHEMBL229 Alpha-1a adrenergic receptor Homo sapiens 0.578
CHEMBL6110 Thioredoxin glutathione reductase Schistosoma mansoni 0.418
CHEMBL5162 Neuropeptide S receptor Homo sapiens 0.330
CHEMBL3577 Aldehyde dehydrogenase 1A1 Homo sapiens 0.222

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
384.3 383.0691 3.96 4 64.63 NEUTRAL


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
5 1 0 5 1 0


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 2.73 4.76 4.76 1 25 0.8

Structural Alerts

There are 3 structural alerts for CHEMBL1480. 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
C08CA02 - felodipine

ChemSpider ChemSpider:RZTAMFZIAATZDJ-UHFFFAOYSA-N
DailyMed felodipine
PubChem SID: 124880165 SID: 144203706 SID: 170464849 SID: 17405071 SID: 50106289 SID: 50106290 SID: 85231057 SID: 90340828
Wikipedia Felodipine

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1480



ACToR 72509-76-3 86189-69-7
Atlas felodipine
BindingDB 189379
Brenda 53907
ChEBI 585948
ChemicalBook CB6411200 CB4300661
DrugBank DB01023
DrugCentral 1142
eMolecules 538533
EPA CompTox Dashboard DTXSID4023042
Guide to Pharmacology 4190
Human Metabolome Database HMDB0015158
LINCS LSM-1447
Mcule MCULE-8253440089
MolPort MolPort-002-801-136
Nikkaji J11.263A
NMRShiftDB 2611
PharmGKB PA449591
PubChem 3333
PubChem: Drugs of the Future 12012613
PubChem: Thomson Pharma 14927301
Selleck Felodipine(Plendil)
SureChEMBL SCHEMBL26398

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