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Compound Detail

CHEMBL545131

BENZETIMIDE HYDROCHLORIDE
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Cl.O=C1CCC(c2ccccc2)(C2CCN(Cc3ccccc3)CC2)C(=O)N1
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL545131
Name BENZETIMIDE HYDROCHLORIDE
Phase Preclinical
Structure Type MOL
InChI Key XSOOSXRNMDUWEM-UHFFFAOYSA-N
Parent Compound CHEMBL10272
Active Moiety CHEMBL10272

Known Names

Benzetimide hcl Benzetimide hydrochloride Dioxatrine JANSSEN R 492 JANSSEN R 4929 JANSSEN-R-492 MCN-JR-4929-11
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
7
Known Names

Molecular Properties

362.5
MW (Da)
3.27
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.85
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
Chirality Racemic
USAN Year 1969

Extended Properties

Molecular Formula C23H27ClN2O2
MW 398.93
Aromatic Rings 2
Heavy Atoms 27
NP-Likeness -0.32

Activity Summary

IC50 1 meas. best 5.05

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor
CHEMBL2097162
 IC50 5.05 5.05 8900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor IC50 = 8900.0 nM 5.05 Ability (10 ug/kg) to inhibit binding of [125I]iododexetimide to muscarinic rece... 2785211

Literature References

PubMed DOI Target Context # Activities
2785211 10.1021/jm00125a021 Muscarinic acetylcholine receptor 1

Data from ChEMBL 36 via Core Engine