Compound Detail
CHEMBL4070885
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Basic Information
| ChEMBL ID | CHEMBL4070885 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DXYYFJOVZVSYFY-RXVVDRJESA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
6
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
3.65
ALogP
6
HBA
2
HBD
81.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.21
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 CHEMBL3711550 | IC50 | 6.21 | 6.21 | 610.0 | 1 |
| G protein-coupled receptor kinase 5 CHEMBL3879830 | IC50 | 4.77 | 4.77 | 17100.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.0525 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 | IC50 | = | 610.0 | nM | 6.21 | Inhibition of bovine GRK2 S670A mutant after 5 mins in presence of ATP by phosph... | 28323425 |
| G protein-coupled receptor kinase 5 | IC50 | = | 17100.0 | nM | 4.77 | Inhibition of bovine GRK5 after 5 mins after 5 mins in presence of ATP by phosph... | 28323425 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28323425 | 10.1021/acs.jmedchem.7b00112 | Beta-adrenergic receptor kinase 1 | 3 |
| 28323425 | 10.1021/acs.jmedchem.7b00112 | Rhodopsin kinase GRK1 | 1 |
| 28323425 | 10.1021/acs.jmedchem.7b00112 | G protein-coupled receptor kinase 5 | 1 |
| 28323425 | 10.1021/acs.jmedchem.7b00112 | Unchecked | 1 |
| 28323425 | 10.1021/acs.jmedchem.7b00112 | Rho-associated protein kinase 1 | 1 |
| 28323425 | 10.1021/acs.jmedchem.7b00112 | Liver | 1 |
Data from ChEMBL 36 via Core Engine