METHOXYVERAPAMIL

Search structure
Synonyms:
Status: Phase 2
Entry Type: Small molecule
Molecule Category: UNKNOWN

Structure
InChI Key IERWCEALNGTKIK-UHFFFAOYSA-N
Smile 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
Hydrogen Bond Donor 0.0
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

Indications

Mesh Heading Maximum Phase Mesh ID Reference
Asthma 2 D001249 ClinicalTrials

Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL523367
SureChEMBL SCHEMBL10453716
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