Compound Detail
CHEMBL490598
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Basic Information
| ChEMBL ID | CHEMBL490598 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QKEUCDCLCOAHSK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
422.6
MW (Da)
4.08
ALogP
4
HBA
1
HBD
44.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.97
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 8.97 | 8.97 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 1.06 | nM | 8.97 | Agonist activity at muscarinic M1 receptor | 18805692 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18805692 | 10.1016/j.bmcl.2008.09.023 | Muscarinic acetylcholine receptor M1 | 2 |
| 18805692 | 10.1016/j.bmcl.2008.09.023 | D(2) dopamine receptor | 1 |
| 18805692 | 10.1016/j.bmcl.2008.09.023 | Muscarinic acetylcholine receptor M2 | 1 |
| 18805692 | 10.1016/j.bmcl.2008.09.023 | Muscarinic acetylcholine receptor M3 | 1 |
| 18805692 | 10.1016/j.bmcl.2008.09.023 | Muscarinic acetylcholine receptor M4 | 1 |
| 18805692 | 10.1016/j.bmcl.2008.09.023 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine