Compound Detail
CHEMBL406802
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Basic Information
| ChEMBL ID | CHEMBL406802 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AUQMQYVVWRTWCX-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
296.4
MW (Da)
2.15
ALogP
6
HBA
1
HBD
64.3
PSA (Ų)
0.74
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL216 | IC50 | 6.19 | 5.795 | 645.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | IC50 | = | 645.65 | nM | 6.19 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 17977730 |
| Muscarinic acetylcholine receptor M1 | IC50 | = | 3981.07 | nM | 5.4 | Displacement of [3H]NMS from human muscarinic M1 receptor expressed in CHO cells... | 17977730 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17977730 | 10.1016/j.bmc.2007.10.058 | Muscarinic acetylcholine receptor M1 | 2 |
Data from ChEMBL 36 via Core Engine