Compound Detail
CHEMBL2111621
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Basic Information
| ChEMBL ID | CHEMBL2111621 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HCDKOXNCGOEUPF-VTBWFHPJSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
390.5
MW (Da)
3.97
ALogP
4
HBA
1
HBD
65.5
PSA (Ų)
0.84
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 7.4 | 7.4 | 40.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | IC50 | 5.72 | 5.72 | 1900.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | IC50 | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 40.0 | nM | 7.4 | Displacement of [3H]pirenzepine binding to muscarinic M1 receptor in brain corte... | 10571170 |
| Muscarinic acetylcholine receptor M2 | IC50 | = | 1900.0 | nM | 5.72 | Displacement of [3H]methylscopolamine binding to muscarinic M2 receptor in rat h... | 10571170 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 3500.0 | nM | 5.46 | 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 |
| 10571170 | 10.1016/s0960-894x(99)00528-4 | Muscarinic acetylcholine receptors; M1 & M2 | 1 |
| 10571170 | 10.1016/s0960-894x(99)00528-4 | Muscarinic acetylcholine receptor M1 and M3 | 1 |
Data from ChEMBL 36 via Core Engine