Compound Detail
CHEMBL4852125
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Basic Information
| ChEMBL ID | CHEMBL4852125 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UAHNPUPCUJUYBV-LBPRGKRZSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
423.9
MW (Da)
4.89
ALogP
7
HBA
3
HBD
100.6
PSA (Ų)
0.39
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 8.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 CHEMBL6144 | IC50 | 8.46 | 8.46 | 3.5 | 1 |
| Insulin-like growth factor 1 receptor CHEMBL1957 | IC50 | 5.82 | 5.82 | 1500.0 | 1 |
| Aurora kinase A CHEMBL4722 | IC50 | 4.66 | 4.66 | 22000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 6 | IC50 | = | 3.5 | nM | 8.46 | Inhibition of recombinant full-length human GRK6 using casein as substrate measu... | 34291633 |
| Insulin-like growth factor 1 receptor | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of recombinant human IGF-1R (959 to end residues) using KKKSPGEYVNIEF... | 34291633 |
| Aurora kinase A | IC50 | = | 22000.0 | nM | 4.66 | Inhibition of recombinant full length human Aurora A using LRRASLG as substrate ... | 34291633 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34291633 | 10.1021/acs.jmedchem.1c00506 | G protein-coupled receptor kinase 6 | 1 |
| 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