VERAPAMIL HYDROCHLORIDE

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Salt-form
UNII V3888OEY5R
EPA CompTox DTXSID2034095

Structure

InChI Key DOQPXTMNIUCOSY-UHFFFAOYSA-N
Smiles 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
Number of Rotational Bond 13.0
Polar Surface Area 63.95
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 33.0

Pharmacology

Mechanism of Action Action Reference
Voltage-gated L-type calcium channel blocker 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
- - - - 42.07-89.18
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Cricetulus griseus
- 10-310 - - 42.07-89.18
Homo sapiens
- 200-560 - - -

Target Conservation

Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1F
Organism : Homo sapiens
O60840 ENSG00000102001
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1D
Organism : Homo sapiens
Q01668 ENSG00000157388
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1S
Organism : Homo sapiens
Q13698 ENSG00000081248
Protein: Voltage-gated L-type calcium channel
Description: Voltage-dependent L-type calcium channel subunit alpha-1C
Organism : Homo sapiens
Q13936 ENSG00000151067

Cross References

Resources Reference
ChEMBL CHEMBL1280
FDA SRS V3888OEY5R
SureChEMBL SCHEMBL33296
CONTENTS