Compound Detail
CHEMBL5569207
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Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)N[C@H](C)c4ccc(F)cc4)cc32)c(C)c1NC(=O)C(=O)c1ccco1
Basic Information
| ChEMBL ID | CHEMBL5569207 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XZQGQUXPVUGRQK-LRSOKBAUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
540.5
MW (Da)
5.17
ALogP
5
HBA
4
HBD
133.3
PSA (Ų)
0.15
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 CHEMBL5678 | IC50 | 8.0 | 8.0 | 10.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 | IC50 | = | 10.0 | nM | 8.0 | Inhibition of human GRK5 (1 to 590) expressed in Escherichia coli using tubulin ... | 38016297 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38016297 | 10.1016/j.ejmech.2023.115931 | G protein-coupled receptor kinase 5 | 1 |
| 38016297 | 10.1016/j.ejmech.2023.115931 | Beta-adrenergic receptor kinase 1 | 1 |
| 38016297 | 10.1016/j.ejmech.2023.115931 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine