Compound Detail
CHEMBL194870
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Basic Information
| ChEMBL ID | CHEMBL194870 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CSRMKZBLAHZGOX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
396.4
MW (Da)
2.27
ALogP
3
HBA
2
HBD
52.6
PSA (Ų)
0.76
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 6.44 | 6.44 | 366.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 6.13 | 6.13 | 736.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 366.0 | nM | 6.44 | Affinity for rat Muscarinic acetylcholine receptor M3 | 15808475 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 736.0 | nM | 6.13 | Affinity for rat Muscarinic acetylcholine receptor M2 | 15808475 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15808475 | 10.1016/j.bmcl.2005.02.036 | Muscarinic acetylcholine receptor M3 | 1 |
| 15808475 | 10.1016/j.bmcl.2005.02.036 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine