Compound Detail
CHEMBL403029
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Basic Information
| ChEMBL ID | CHEMBL403029 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVRVZKJLXTWKSC-UHFFFAOYSA-N |
| Parent Compound | CHEMBL1185259 |
| Active Moiety | CHEMBL1185259 |
2
Targets
5
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
386.5
MW (Da)
4.52
ALogP
3
HBA
1
HBD
26.7
PSA (Ų)
0.65
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 4.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 CHEMBL245 | Ki | 4.15 | 4.15 | 70794.6 | 1 |
| Muscarinic acetylcholine receptor M4 CHEMBL1821 | Ki | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M3 | Ki | = | 70794.58 | nM | 4.15 | Displacement of [3H]N-methylscopolamine from human muscarinic M3 receptor expres... | 18395442 |
| Muscarinic acetylcholine receptor M4 | Ki | = | 100000.0 | nM | 4.0 | Displacement of [3H]N-methylscopolamine from human muscarinic M4 receptor expres... | 18395442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M1 | 1 |
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M2 | 1 |
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M3 | 1 |
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M4 | 1 |
| 18395442 | 10.1016/j.bmcl.2008.03.061 | Muscarinic acetylcholine receptor M5 | 1 |
Data from ChEMBL 36 via Core Engine