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ChEMBL Statistics
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Compound Report Card

Compound Name and Classification

Compound ID CHEMBL1280
CHEMBL1280
Compound Name VERAPAMIL HYDROCHLORIDE
ChEMBL Synonyms MANIDON SR | Isoptin sr | RANVERA MR | SECURON SR | VERA-TIL SR | VERTAB SR 240 | BERKATENS | CORDILOX MR 240 | UNIVER | CALAN | VERAPRESS MR 240 | HALF SECURON SR | ETHIMIL MR 240 | GEANGIN | VERAPAMIL HYDROCHLORIDE | ZOLVERA | COVERA | ISOPTIN | SECURON | VERELAN PM | SECURON MID | COVERA-HS | SECURON IV | VERELAN | CALAN SR | CORDILOX | CORDILOX I.V.
Max Phase 4 (Approved)
Trade Names BERKATENS | CALAN | CALAN SR | CORDILOX | CORDILOX I.V. | CORDILOX MR 240 | COVERA | COVERA-HS | ETHIMIL MR 240 | GEANGIN | HALF SECURON SR | ISOPTIN | Isoptin sr | MANIDON SR | RANVERA MR | SECURON | SECURON IV | SECURON MID | SECURON SR | UNIVER | VERA-TIL SR | VERAPAMIL HYDROCHLORIDE | VERAPRESS MR 240 | VERELAN | VERELAN PM | VERTAB SR 240 | ZOLVERA
Molecular Formula C27H39ClN2O4

Additional synonyms for CHEMBL1280 found using NCI Chemical Identifier Resolver

Compound Representations

Molfile Download MolFile
Canonical SMILES Cl.COc1ccc(CCN(C)CCCC(C#N)(C(C)C)c2ccc(OC)c(OC)c2)cc1OC
Standard InChI InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26 ...
Download InChI
Standard InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N

Sources

  • British National Formulary
  • Orange Book
  • PubChem BioAssays
  • Scientific Literature
  • USP Dictionary of USAN and International Drug Names

Alternate Forms of Compound in ChEMBL


CHEMBL1280

Molecule Features

CHEMBL1280 compound icon
Drug Type:Synthetic Small Molecule Rule of Five:N First In Class:N Chirality:Racemic Mixture Prodrug:N Oral:Y 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 FDA ISBN

Indications

MESH Heading MESH ID EFO ID EFO Term Max phase for indication References
Atrial FibrillationD001281EFO:0000275atrial fibrillation3ClinicalTrials
ClinicalTrials
Cardiovascular DiseasesD002318EFO:0000319cardiovascular disease1ATC
ATC
ClinicalTrials
Heart FailureD006333EFO:0003144heart failure3ClinicalTrials
ClinicalTrials

Clinical Data

ClinicalTrials.gov VERAPAMIL HYDROCHLORIDE
The Cochrane Collaboration VERAPAMIL HYDROCHLORIDE

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 CHEMBL1280. 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
CHEMBL1940 Voltage-gated L-type calcium channel alpha-1C subunit Homo sapiens 1.000
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.992
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.984
CHEMBL240 HERG Homo sapiens 0.242
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.234

10uM


ChEMBL_ID Target Name Organism Score
CHEMBL4302 P-glycoprotein 1 Homo sapiens 1.000
CHEMBL1940 Voltage-gated L-type calcium channel alpha-1C subunit Homo sapiens 0.999
CHEMBL4931 3-beta-hydroxysteroid-delta(8),delta(7)-isomerase Homo sapiens 0.996
CHEMBL3762 Voltage-gated L-type calcium channel alpha-1C subunit Rattus norvegicus 0.996
CHEMBL3467 P-glycoprotein 1 Mus musculus 0.942
CHEMBL3004 Multidrug resistance-associated protein 1 Homo sapiens 0.874
CHEMBL1833 Serotonin 2b (5-HT2b) receptor Homo sapiens 0.541
CHEMBL315 Alpha-1b adrenergic receptor Rattus norvegicus 0.367
CHEMBL3602 Sigma opioid receptor Rattus norvegicus 0.293
CHEMBL3251 Nuclear factor NF-kappa-B p105 subunit Homo sapiens 0.266
CHEMBL225 Serotonin 2c (5-HT2c) receptor Homo sapiens 0.207

Calculated Compound Parent Properties

Mol. Weight Mol. Weight Monoisotopic ALogP #Rotatable Bonds Polar Surface Area Molecular Species
454.6 454.2832 5.09 13 63.95 BASE


HBA HBD #Ro5 Violations HBA (Lipinski) HBD (Lipinski) #Ro5 Violations (Lipinski)
6 0 1 6 0 1


ACD Acidic pKa ACD Basic pKa ACD LogP ACD LogD pH7.4 Aromatic Rings Heavy Atoms QED Weighted
- 8.97 4.02 2.46 2 33 0.42

Structural Alerts

There are 1 structural alerts for CHEMBL1280. To view alerts please click here.

Compound Cross References

ChemSpider ChemSpider:DOQPXTMNIUCOSY-UHFFFAOYSA-N
DailyMed verapamil hydrochloride
PubChem SID: 144208378 SID: 17388668 SID: 26747697 SID: 26747698 SID: 49718106 SID: 50107178 SID: 50107179 SID: 50107180 SID: 507863 SID: 856000

UniChem Cross References

View the UniChem Connectivity matches for CHEMBL1280



ACToR 152-11-4 38176-10-2
ChemicalBook CB7664827
eMolecules 715730
EPA CompTox Dashboard DTXSID2034095
Mcule MCULE-4314350683
MolPort MolPort-002-915-466
PubChem 16639402 657390 62969
PubChem: Thomson Pharma 14883935
SureChEMBL SCHEMBL33296

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