Compound Detail
CHEMBL4450181
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Basic Information
| ChEMBL ID | CHEMBL4450181 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CCBRJMCGHRTXRT-UHFFFAOYSA-N |
2
Targets
4
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
443.5
MW (Da)
3.68
ALogP
7
HBA
5
HBD
147.1
PSA (Ų)
0.26
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 5.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 CHEMBL5678 | IC50 | 5.26 | 5.0533 | 5500.0 | 3 |
| Beta-adrenergic receptor kinase 1 CHEMBL3711550 | IC50 | 4.41 | 4.41 | 39000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 | IC50 | = | 5500.0 | nM | 5.26 | Inhibition of human GRK5 using tubulin as substrate measured after 60 mins by [g... | 31857838 |
| G protein-coupled receptor kinase 5 | IC50 | = | 6300.0 | nM | 5.2 | Inhibition of human GRK5 using tubulin as substrate measured after 30 mins by [g... | 31857838 |
| G protein-coupled receptor kinase 5 | IC50 | = | 20000.0 | nM | 4.7 | Inhibition of human GRK5 using tubulin as substrate measured after 0 mins by [ga... | 31857838 |
| Beta-adrenergic receptor kinase 1 | IC50 | = | 39000.0 | nM | 4.41 | Inhibition of bovine GRK2 using tubulin as substrate measured after 4 hrs by [ga... | 31857838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31857838 | 10.1021/acsmedchemlett.9b00365 | G protein-coupled receptor kinase 5 | 3 |
| 31857838 | 10.1021/acsmedchemlett.9b00365 | Rhodopsin kinase GRK1 | 1 |
| 31857838 | 10.1021/acsmedchemlett.9b00365 | Beta-adrenergic receptor kinase 1 | 1 |
| 31857838 | 10.1021/acsmedchemlett.9b00365 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine