Compound Detail
CHEMBL4874424
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Basic Information
| ChEMBL ID | CHEMBL4874424 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GHDFCDSHKKEZJV-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
408.9
MW (Da)
4.93
ALogP
6
HBA
3
HBD
87.8
PSA (Ų)
0.40
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 CHEMBL6144 | IC50 | 7.8 | 6.75 | 16.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 | IC50 | = | 16.0 | nM | 7.8 | Inhibition of recombinant full-length human GRK6 using casein as substrate measu... | 34291633 |
| G protein-coupled receptor kinase 6 | IC50 | = | 2000.0 | nM | 5.7 | Binding affinity to FLAG-tagged GRK6 in human KMS11 cells incubated for 2.5 hrs ... | 34291633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34291633 | 10.1021/acs.jmedchem.1c00506 | G protein-coupled receptor kinase 6 | 2 |
| 34291633 | 10.1021/acs.jmedchem.1c00506 | Aurora kinase A | 1 |
| 34291633 | 10.1021/acs.jmedchem.1c00506 | Insulin-like growth factor 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine