Compound Detail
CHEMBL4873492
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Basic Information
| ChEMBL ID | CHEMBL4873492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HMLJIXHRJATJKJ-JWIMYKKASA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
378.5
MW (Da)
4.03
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.81
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.65
IC50 1 meas. best 4.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 6.65 | 6.65 | 222.0 | 1 |
| Muscarinic acetylcholine receptor M3 CHEMBL245 | IC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 222.0 | nM | 6.65 | Increase of PGRN level in mouse microglial BV-2 cell relative to control | 34153473 |
| Muscarinic acetylcholine receptor M3 | IC50 | = | 30000.0 | nM | 4.52 | Antagonist activity at muscarinic M3 receptor (unknown origin) | 34153473 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34153473 | 10.1016/j.bmcl.2021.128209 | ADMET | 2 |
| 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