Compound Detail
CHEMBL134382
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Basic Information
| ChEMBL ID | CHEMBL134382 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QHXIAJIYLGAPSH-UHFFFAOYSA-N |
4
Targets
4
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
540.8
MW (Da)
6.05
ALogP
6
HBA
4
HBD
66.6
PSA (Ų)
0.11
QED
2
Ro5 Violations
26
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.14
Kd 2 meas. best 6.67
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 6.67 | 6.67 | 213.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL5498 | Kd | 5.89 | 5.89 | 1288.2 | 1 |
| Acetylcholinesterase CHEMBL220 | IC50 | 5.14 | 5.14 | 7244.4 | 1 |
| Cholinesterase CHEMBL1914 | IC50 | 5.06 | 5.06 | 8709.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Kd | = | 213.8 | nM | 6.67 | Antagonistic potency against Muscarinic acetylcholine receptor M2 | 9784091 |
| Muscarinic acetylcholine receptor M3 | Kd | = | 1288.25 | nM | 5.89 | Antagonistic potency against Muscarinic acetylcholine receptor M3 (10 uM) | 9784091 |
| Acetylcholinesterase | IC50 | = | 7244.36 | nM | 5.14 | Inhibition of acetylcholinesterase (AChE) of human erythrocytes | 9784091 |
| Cholinesterase | IC50 | = | 8709.64 | nM | 5.06 | Inhibition of Butyrylcholinesterase (BChE) of human erythrocytes [-log IC50 (uM)... | 9784091 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9784091 | 10.1021/jm9810452 | Acetylcholinesterase | 1 |
| 9784091 | 10.1021/jm9810452 | Cholinesterase | 1 |
| 9784091 | 10.1021/jm9810452 | Muscarinic acetylcholine receptor M1 | 1 |
| 9784091 | 10.1021/jm9810452 | Muscarinic acetylcholine receptor M2 | 1 |
| 9784091 | 10.1021/jm9810452 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine