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Compound Detail

CHEMBL1446650

MEBEVERINE HYDROCHLORIDE
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CCN(CCCCOC(=O)c1ccc(OC)c(OC)c1)C(C)Cc1ccc(OC)cc1.Cl

Basic Information

ChEMBL ID CHEMBL1446650
Name MEBEVERINE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key PLGQWYOULXPJRE-UHFFFAOYSA-N
Therapeutic ✓ Yes
Parent Compound CHEMBL282121
Active Moiety CHEMBL282121

Known Names

Colofac Colofac 100 Colofac ibs Colofac mr CSAG-144 Fomac Mebeverine hcl Mebeverine hydrochloride NSC-169101
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
9
Known Names

Molecular Properties

429.6
MW (Da)
4.60
ALogP
6
HBA
0
HBD
57.2
PSA (Ų)
0.34
QED
0
Ro5 Violations
13
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Stem -verine
USAN Year 1966

Extended Properties

Molecular Formula C25H36ClNO5
MW 466.02
Aromatic Rings 2
Heavy Atoms 31
NP-Likeness -0.60

Activity Summary

IC50 2 meas. best 5.76

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Unchecked
CHEMBL612545
IC50 5.76 5.735 1737.1 2

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
- 10.6019/CHEMBL4808148 Histone deacetylase 6 2
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
- 10.21203/rs.3.rs-23951/v1 SARS-CoV-2 1

Data from ChEMBL 36 via Core Engine