Compound Detail
CHEMBL5398985
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Basic Information
| ChEMBL ID | CHEMBL5398985 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BMTWSABVQTVFDB-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
455.5
MW (Da)
2.80
ALogP
7
HBA
5
HBD
147.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 CHEMBL5678 | IC50 | 5.96 | 5.855 | 1100.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 | IC50 | = | 1100.0 | nM | 5.96 | Time dependent inhibition of GRK5 (unknown origin) | 36055000 |
| G protein-coupled receptor kinase 5 | IC50 | = | 1800.0 | nM | 5.75 | Inhibition of GRK5 (unknown origin) | 36055000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36055000 | 10.1016/j.ejmech.2022.114668 | G protein-coupled receptor kinase 5 | 2 |
| 36055000 | 10.1016/j.ejmech.2022.114668 | Rhodopsin kinase GRK1 | 1 |
Data from ChEMBL 36 via Core Engine