Compound Detail
CHEMBL234252
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Basic Information
| ChEMBL ID | CHEMBL234252 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHCDKYWUNQXVAJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
326.4
MW (Da)
2.59
ALogP
4
HBA
1
HBD
33.7
PSA (Ų)
0.83
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 7.7 | 7.7 | 20.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.05 | 7.05 | 90.0 | 1 |
| Muscarinic acetylcholine receptor M1 CHEMBL216 | Ki | 6.66 | 6.66 | 220.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 20.0 | nM | 7.7 | Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M3 receptor ex... | 17188867 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 90.0 | nM | 7.05 | Displacement of 1-[N-methyl- 3H]scopolamine from human muscarinic M2 receptor ex... | 17188867 |
| Muscarinic acetylcholine receptor M1 | Ki | = | 220.0 | nM | 6.66 | 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 | 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