Compound Detail
CHEMBL120399
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Basic Information
| ChEMBL ID | CHEMBL120399 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KFMGSFKZOWXTCJ-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
279.4
MW (Da)
3.77
ALogP
4
HBA
0
HBD
29.0
PSA (Ų)
0.71
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | IC50 | 7.14 | 6.935 | 73.0 | 2 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.65 | 6.65 | 224.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 73.0 | nM | 7.14 | Displacement of [3H]pirenzepine (Pz) from rat hippocampus muscarinic acetylcholi... | 1433209 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 187.0 | nM | 6.73 | Displacement of [3H]oxotremorine-M (Oxo-M) from rat hippocampus muscarinic acety... | 1433209 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 224.0 | nM | 6.65 | Efficacy at muscarinic acetylcholine receptor M1 measured by the ability to inhi... | 1433209 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 1433209 | 10.1021/jm00100a005 | Muscarinic acetylcholine receptor M1 | 4 |
Data from ChEMBL 36 via Core Engine