Compound Detail
CHEMBL5412633
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCOc1noc(CNC(=O)c2cc(C3NC(=O)NC(C)=C3C(=O)Nc3ccc4[nH]ncc4c3)ccc2F)n1
Basic Information
| ChEMBL ID | CHEMBL5412633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SRDLWBLWLYRNNX-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
534.5
MW (Da)
2.68
ALogP
8
HBA
5
HBD
176.2
PSA (Ų)
0.23
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 CHEMBL4079 | IC50 | 6.6 | 6.6 | 250.0 | 1 |
| G protein-coupled receptor kinase 5 CHEMBL5678 | IC50 | 6.58 | 6.58 | 260.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 | IC50 | = | 250.0 | nM | 6.6 | Inhibition of GRK2 (unknown origin) | 36055000 |
| G protein-coupled receptor kinase 5 | IC50 | = | 260.0 | nM | 6.58 | Inhibition of GRK5 (unknown origin) | 36055000 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36055000 | 10.1016/j.ejmech.2022.114668 | Beta-adrenergic receptor kinase 1 | 1 |
| 36055000 | 10.1016/j.ejmech.2022.114668 | G protein-coupled receptor kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine