Compound Detail
CHEMBL103189
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Basic Information
| ChEMBL ID | CHEMBL103189 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AGKOAFGRVCVBFH-CVMIBEPCSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
406.6
MW (Da)
4.77
ALogP
4
HBA
1
HBD
48.5
PSA (Ų)
0.73
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | IC50 | 6.12 | 6.12 | 760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 10.0 | nM | 8.0 | Displacement of [3H]pirenzepine binding to muscarinic M1 receptor in brain corte... | 10571170 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 760.0 | nM | 6.12 | Displacement of [3H]methylscopolamine binding to muscarinic M2 receptor in rat h... | 10571170 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 760.0 | nM | 6.12 | Displacement of [3H]methylscopolamine binding to muscarinic M3 receptor in subma... | 10571170 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10571170 | 10.1016/s0960-894x(99)00528-4 | Muscarinic acetylcholine receptor M1 | 1 |
| 10571170 | 10.1016/s0960-894x(99)00528-4 | Muscarinic acetylcholine receptor M2 | 1 |
| 10571170 | 10.1016/s0960-894x(99)00528-4 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine