Compound Detail
CHEMBL192485
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Basic Information
| ChEMBL ID | CHEMBL192485 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PRTRYQFFLDMTMW-UHFFFAOYSA-N |
2
Targets
8
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
353.5
MW (Da)
2.56
ALogP
4
HBA
1
HBD
49.8
PSA (Ų)
0.65
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 8 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 8.22 | 7.28 | 6.0 | 4 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 7.66 | 6.9675 | 22.0 | 4 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 6.0 | nM | 8.22 | Ki value for rat Muscarinic acetylcholine receptor M3 | 15808475 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 22.0 | nM | 7.66 | Affinity for rat Muscarinic acetylcholine receptor M2 | 15808475 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 37.0 | nM | 7.43 | Affinity for rat Muscarinic acetylcholine receptor M3 | 15808475 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 65.0 | nM | 7.19 | Affinity for rat Muscarinic acetylcholine receptor M2 | 15808475 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 102.0 | nM | 6.99 | Ki value for rat Muscarinic acetylcholine receptor M3 | 15808475 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 224.0 | nM | 6.65 | Affinity for rat Muscarinic acetylcholine receptor M2 | 15808475 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 330.0 | nM | 6.48 | Affinity for rat Muscarinic acetylcholine receptor M3 | 15808475 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 425.0 | nM | 6.37 | 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 | 4 |
| 15808475 | 10.1016/j.bmcl.2005.02.036 | Muscarinic acetylcholine receptor M2 | 4 |
Data from ChEMBL 36 via Core Engine