VERAPAMIL HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved (1981)
Entry Type: Small molecule
Molecule Category: UKNOWN
UNII: V3888OEY5R

Structure
InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Smile COc1ccc(CCN(C)CCCC(C#N)(c2ccc(OC)c(OC)c2)C(C)C)cc1OC.Cl
InChI
InChI=1S/C27H38N2O4.ClH/c1-20(2)27(19-28,22-10-12-24(31-5)26(18-22)33-7)14-8-15-29(3)16-13-21-9-11-23(30-4)25(17-21)32-6;/h9-12,17-18,20H,8,13-16H2,1-7H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C27H39ClN2O4
Molecular Weight 491.07
AlogP 5.09
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 13.0
Polar Surface Area 63.95
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Action Mechanism of Action Reference
BLOCKER Voltage-gated L-type calcium channel blocker FDA ISBN
Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Ion channel Voltage-gated ion channel Potassium channels Voltage-gated potassium channel
- 200-560 - - -
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC21/SLCO family of organic anion transporting polypeptides
- - - - 42
Transporter Primary active transporter ATP-binding cassette ABCB subfamily
- 20500 - - -

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Atrial Fibrillation 3 D001281 ClinicalTrials
Heart Failure 3 D006333 ClinicalTrials
Hodgkin Disease 1 D006689 ClinicalTrials
Cardiovascular Diseases 1 D002318 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1280
EPA CompTox DTXSID2034095
FDA SRS V3888OEY5R
SureChEMBL SCHEMBL33296
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