Compound Detail
CHEMBL200401
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Basic Information
| ChEMBL ID | CHEMBL200401 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LABGCBWSNGTBPM-GOSISDBHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
359.5
MW (Da)
3.16
ALogP
5
HBA
1
HBD
32.7
PSA (Ų)
0.85
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 10.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 10.1 | 10.1 | 0.1 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL211 | Ki | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 0.08 | nM | 10.1 | Binding affinity to human muscarinic M3 receptor | 16275087 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 0.4 | nM | 9.4 | 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