Compound Detail
CHEMBL491209
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Basic Information
| ChEMBL ID | CHEMBL491209 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VBYGBDXPFRYDEZ-UHFFFAOYSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
372.5
MW (Da)
2.59
ALogP
5
HBA
1
HBD
70.6
PSA (Ų)
0.90
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 5 meas. best 8.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 8.68 | 8.68 | 2.1 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | EC50 | 8.04 | 8.04 | 9.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | EC50 | 7.92 | 7.92 | 11.9 | 1 |
| Muscarinic acetylcholine receptor M5 CHEMBL2035 | EC50 | 7.46 | 7.46 | 34.3 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | EC50 | 6.95 | 6.95 | 113.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 2.1 | nM | 8.68 | Agonist activity at muscarinic M1 receptor | 18805692 |
| Muscarinic acetylcholine receptor M4 | EC50 | = | 9.1 | nM | 8.04 | Agonist activity at muscarinic M4 receptor | 18805692 |
| Muscarinic acetylcholine receptor M2 | EC50 | = | 11.9 | nM | 7.92 | Agonist activity at muscarinic M2 receptor | 18805692 |
| Muscarinic acetylcholine receptor M5 | EC50 | = | 34.3 | nM | 7.46 | Agonist activity at muscarinic M5 receptor | 18805692 |
| Muscarinic acetylcholine receptor M3 | EC50 | = | 113.0 | nM | 6.95 | Agonist activity at muscarinic M3 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 | Muscarinic acetylcholine receptor M2 | 2 |
| 18805692 | 10.1016/j.bmcl.2008.09.023 | Muscarinic acetylcholine receptor M3 | 2 |
| 18805692 | 10.1016/j.bmcl.2008.09.023 | Muscarinic acetylcholine receptor M4 | 2 |
| 18805692 | 10.1016/j.bmcl.2008.09.023 | Muscarinic acetylcholine receptor M5 | 2 |
| 18805692 | 10.1016/j.bmcl.2008.09.023 | D(2) dopamine receptor | 1 |
Data from ChEMBL 36 via Core Engine