Compound Detail
CHEMBL493465
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Basic Information
| ChEMBL ID | CHEMBL493465 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZBEWUYNNNHETOS-IBGZPJMESA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
442.5
MW (Da)
4.09
ALogP
4
HBA
2
HBD
68.2
PSA (Ų)
0.60
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Kd 3 meas. best 9.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Kd | 9.6 | 9.6 | 0.3 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Kd | 8.1 | 8.1 | 7.9 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Kd | 6.5 | 6.5 | 316.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Kd | = | 0.2512 | nM | 9.6 | Antagonist activity at cloned muscarinic M3 receptor expressed in CHO cells asse... | 18798607 |
| Muscarinic acetylcholine receptor M1 | Kd | = | 7.943 | nM | 8.1 | Antagonist activity at cloned muscarinic M1 receptor expressed in CHO cells asse... | 18798607 |
| Muscarinic acetylcholine receptor M2 | Kd | = | 316.23 | nM | 6.5 | Antagonist activity at cloned muscarinic M2 receptor-Gqi5 chimeric protein expre... | 18798607 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18798607 | 10.1021/jm800935u | Muscarinic acetylcholine receptor M3 | 1 |
| 18798607 | 10.1021/jm800935u | Muscarinic acetylcholine receptor M1 | 1 |
| 18798607 | 10.1021/jm800935u | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine