Compound Detail
CHEMBL606902
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Basic Information
| ChEMBL ID | CHEMBL606902 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBOUYBDGKBSUES-YADHBBJMSA-N |
5
Targets
5
Activities
3
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
362.5
MW (Da)
3.86
ALogP
3
HBA
0
HBD
32.8
PSA (Ų)
0.81
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 6.64
EC50 1 meas. best 5.74
IC50 1 meas. best 6.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 CHEMBL276 | Ki | 6.64 | 6.64 | 230.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 6.13 | 6.13 | 733.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL320 | Ki | 5.89 | 5.89 | 1300.0 | 1 |
| Unchecked CHEMBL612545 | EC50 | 5.74 | 5.74 | 1830.0 | 1 |
| Muscarinic acetylcholine receptor M2 CHEMBL309 | Ki | 5.46 | 5.46 | 3500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Muscarinic acetylcholine receptor M1 | Ki | = | 230.0 | nM | 6.64 | Binding affinity for rat cortex muscarinic acetylcholine receptor M1 using [3H]p... | 16220976 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 733.0 | nM | 6.13 | Antagonist activity at muscarinic M3 receptor (unknown origin) | 34153473 |
| Muscarinic acetylcholine receptor M3 | Ki | = | 1300.0 | nM | 5.89 | Binding affinity for rat salivary gland muscarinic acetylcholine receptor M3 usi... | 16220976 |
| Unchecked | EC50 | = | 1830.0 | nM | 5.74 | Increase of PGRN level in mouse microglial BV-2 cell relative to control | 34153473 |
| Muscarinic acetylcholine receptor M2 | Ki | = | 3500.0 | nM | 5.46 | Binding affinity for rat heart muscarinic acetylcholine receptor M2 using [3H]qu... | 16220976 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16220976 | 10.1021/jm050099q | Muscarinic acetylcholine receptor M1 | 1 |
| 16220976 | 10.1021/jm050099q | Muscarinic acetylcholine receptor M2 | 1 |
| 16220976 | 10.1021/jm050099q | Muscarinic acetylcholine receptor M3 | 1 |
| 16220976 | 10.1021/jm050099q | Muscarinic receptor M2 and M3 | 1 |
| 34153473 | 10.1016/j.bmcl.2021.128209 | Unchecked | 1 |
| 34153473 | 10.1016/j.bmcl.2021.128209 | Muscarinic acetylcholine receptor M3 | 1 |
Data from ChEMBL 36 via Core Engine