METHOXYVERAPAMIL

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Synonyms
Status
Molecule Category Free-form
UNII 39WPC8JHR8

Structure

InChI Key IERWCEALNGTKIK-UHFFFAOYSA-N
Smiles COc1cc(C(C#N)(CCCN(C)CCc2ccccc2)C(C)C)cc(OC)c1OC
InChI
InChI=1S/C26H36N2O3/c1-20(2)26(19-27,22-17-23(29-4)25(31-6)24(18-22)30-5)14-10-15-28(3)16-13-21-11-8-7-9-12-21/h7-9,11-12,17-18,20H,10,13-16H2,1-6H3

Physicochemical Descriptors

Property Name Value
Molecular Formula C26H36N2O3
Molecular Weight 424.59
AlogP 5.08
Hydrogen Bond Acceptor 5.0
Number of Rotational Bond 12.0
Polar Surface Area 54.72
Molecular species BASE
Aromatic Rings 2.0
Heavy Atoms 31.0

Pharmacology

Targets EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Transporter Electrochemical transporter SLC superfamily of solute carriers SLC22 family of organic cation and anion transporters
- - - - 78.1
EC50(nM) IC50(nM) Kd(nM) Ki(nM) Inhibition(%)
Homo sapiens
- - - - 78.1

Related Entries

Cross References

Resources Reference
ChEMBL CHEMBL523367
FDA SRS 39WPC8JHR8
SureChEMBL SCHEMBL10453716
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