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Compound Detail

CHEMBL1724

MEPENZOLATE BROMIDE
💊 Approved Drug
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💊 Approved Drug
C[N+]1(C)CCCC(OC(=O)C(O)(c2ccccc2)c2ccccc2)C1.[Br-]
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL1724
Name MEPENZOLATE BROMIDE
Phase Approved
Structure Type MOL
InChI Key JRRNZNSGDSFFIR-UHFFFAOYSA-M
Therapeutic ✓ Yes
Parent Compound CHEMBL524004
Active Moiety CHEMBL524004

Known Names

AN-6437 Bromure de mepenzolate Bromuro de mepenzolato Cantil FT-0671006 HY-17585 Mepenzolate bromide NSC-4358
3
Targets
5
Activities
2
Assay Types
0
PK Parameters
20
Publications
8
Known Names
2
Mechanisms

Molecular Properties

340.4
MW (Da)
2.70
ALogP
3
HBA
1
HBD
46.5
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds

Drug Information

Molecule Type Small molecule
First Approval 1956
Availability Discontinued
Chirality Racemic

Routes of Administration

Oral

Extended Properties

Molecular Formula C21H26BrNO3
MW 420.35
Aromatic Rings 2
Heavy Atoms 25
NP-Likeness 0.30

Mechanism of Action

Mechanism Action Type Target Direct Efficacy
Muscarinic acetylcholine receptor M3 antagonist ANTAGONIST Muscarinic acetylcholine receptor M3 ✓ ✓
Muscarinic acetylcholine receptor M1 antagonist ANTAGONIST Muscarinic acetylcholine receptor M1 ✓ ✓

Activity Summary

Ki 4 meas. best 9.17
IC50 1 meas. best 4.19

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Muscarinic acetylcholine receptor M2
CHEMBL211
 Ki 9.17 8.925 0.7 2
Muscarinic acetylcholine receptor M3
CHEMBL245
 Ki 8.59 8.435 2.6 2
Solute carrier family 22 member 1
CHEMBL5685
 IC50 4.19 4.19 64900.0 1

Activity Data Samples

Top measurements by pChEMBL value

Target Type Rel. Value Units pChEMBL Assay PubMed
Muscarinic acetylcholine receptor M2 Ki = 0.68 nM 9.17 Displacement of [3H]NMS from human M2R expressed in CHOK1 cells after 2 hrs by s... 24844758
Muscarinic acetylcholine receptor M2 Ki = 2.1 nM 8.68 Displacement of [3H]NMS from human M2R expressed in CHOK1 cell membranes incubat... 31204225
Muscarinic acetylcholine receptor M3 Ki = 2.6 nM 8.59 Displacement of [3H]NMS from human M3R expressed in CHOK1 cells after 2 hrs by s... 24844758
Muscarinic acetylcholine receptor M3 Ki = 5.3 nM 8.28 Displacement of [3H]NMS from human M3R expressed in CHOK1 cell membranes incubat... 31204225
Solute carrier family 22 member 1 IC50 = 64900.0 nM 4.19 Inhibition of 4-(4-(dimethylamino)styryl)-N-methylpyridinium uptake at human OCT... 18788725

Literature References

PubMed DOI Target Context # Activities
22194678 10.1371/journal.pcbi.1002310 Hepatotoxicity 14
24844758 10.1016/j.bmc.2014.04.029 Mus musculus 10
31204225 10.1016/j.bmc.2019.06.016 Mus musculus 4
- 10.6019/CHEMBL4513161 Pseudomonas aeruginosa 2
24844758 10.1016/j.bmc.2014.04.029 Muscarinic acetylcholine receptor M2 2
18788725 10.1021/jm8003152 Solute carrier family 22 member 1 2
31204225 10.1016/j.bmc.2019.06.016 Muscarinic acetylcholine receptor M3 1
- 10.6019/CHEMBL4513161 HEK293 1
- 10.6019/CHEMBL4513141 Acinetobacter baumannii 1
- 10.6019/CHEMBL4513141 Pseudomonas aeruginosa 1
- 10.6019/CHEMBL4513141 Klebsiella pneumoniae 1
- 10.6019/CHEMBL4513141 Escherichia coli 1
- 10.6019/CHEMBL4513141 Cryptococcus neoformans 1
- 10.6019/CHEMBL4513141 Candida albicans 1
31204225 10.1016/j.bmc.2019.06.016 Muscarinic acetylcholine receptor M2 1
- 10.1101/2020.04.03.023846 SARS-CoV-2 1
22961681 10.1124/dmd.112.047068 Bile salt export pump 1
24844758 10.1016/j.bmc.2014.04.029 Muscarinic acetylcholine receptor M3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B3 1
23571415 10.1124/mol.112.084152 Solute carrier organic anion transporter family member 1B1 1

Data from ChEMBL 36 via Core Engine