MEBEVERINE HYDROCHLORIDE

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: 15VZ5AL4JN

Structure
InChI Key PLGQWYOULXPJRE-UHFFFAOYSA-N
Smile CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl
InChI
InChI=1S/C25H35NO5.ClH/c1-6-26(19(2)17-20-9-12-22(28-3)13-10-20)15-7-8-16-31-25(27)21-11-14-23(29-4)24(18-21)30-5;/h9-14,18-19H,6-8,15-17H2,1-5H3;1H

Physicochemical Descriptors

Property Name Value
Molecular Formula C25H36ClNO5
Molecular Weight 466.02
AlogP 4.6
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 13.0
Polar Surface Area 57.23
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 SLC21/SLCO family of organic anion transporting polypeptides
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Related Entries

Scaffolds

Cross References

Resources Reference
ChEMBL CHEMBL1446650
EPA CompTox DTXSID1045372
FDA SRS 15VZ5AL4JN
PubChem 17683
SureChEMBL SCHEMBL121977
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