Compound Detail
CHEMBL394255
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Basic Information
| ChEMBL ID | CHEMBL394255 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | TUWSHNPHYLLLCD-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
332.4
MW (Da)
2.08
ALogP
5
HBA
1
HBD
43.0
PSA (Ų)
0.66
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 8.06
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 8.06 | 8.06 | 8.8 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 7.07 | 7.07 | 86.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M2 | Ki | = | 8.8 | nM | 8.06 | Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor ex... | 17188867 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 14.0 | nM | 7.85 | Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor ex... | 17188867 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 86.0 | nM | 7.07 | Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M1 receptor ex... | 17188867 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17188867 | 10.1016/j.bmcl.2006.11.058 | Rattus norvegicus | 3 |
| 17188867 | 10.1016/j.bmcl.2006.11.058 | Muscarinic acetylcholine receptor M1 | 1 |
| 17188867 | 10.1016/j.bmcl.2006.11.058 | Muscarinic acetylcholine receptor M2 | 1 |
| 17188867 | 10.1016/j.bmcl.2006.11.058 | Muscarinic acetylcholine receptor M3 | 1 |
| 17188867 | 10.1016/j.bmcl.2006.11.058 | Muscarinic acetylcholine receptor M1 and M3 | 1 |
| 17188867 | 10.1016/j.bmcl.2006.11.058 | Muscarinic acetylcholine receptors; M2 & M3 | 1 |
Data from ChEMBL 36 via Core Engine