Compound Detail
CHEMBL199821
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Basic Information
| ChEMBL ID | CHEMBL199821 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROGNPHYAHLESSZ-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
341.5
MW (Da)
3.57
ALogP
3
HBA
1
HBD
32.7
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 8.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 8.6 | 8.6 | 2.5 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 7.4 | 7.4 | 40.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 2.5 | nM | 8.6 | Binding affinity to human muscarinic M3 receptor | 16275087 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 40.0 | nM | 7.4 | Binding affinity to human muscarinic M2 receptor | 16275087 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16275087 | 10.1016/j.bmcl.2005.09.079 | Muscarinic acetylcholine receptor M3 | 1 |
| 16275087 | 10.1016/j.bmcl.2005.09.079 | Muscarinic acetylcholine receptor M2 | 1 |
Data from ChEMBL 36 via Core Engine