Compound Detail
CHEMBL477821
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Basic Information
| ChEMBL ID | CHEMBL477821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AQMPTYUVSBXZPZ-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
425.0
MW (Da)
4.28
ALogP
4
HBA
1
HBD
44.3
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.58
IC50 1 meas. best 5.69
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | EC50 | 6.58 | 6.58 | 260.0 | 1 |
| D(2) dopamine receptor CHEMBL217 | IC50 | 5.69 | 5.69 | 2060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | EC50 | = | 260.0 | nM | 6.58 | Agonist activity at muscarinic M1 receptor | 18805692 |
| D(2) dopamine receptor | IC50 | = | 2060.0 | nM | 5.69 | Inhibition of dopamine D2 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