Compound Detail
CHEMBL4794078
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Cc1cccc(C[C@@H](C)NC(=O)c2ccc3c(c2)/C(=C/c2[nH]c(C)c(NC(=O)CCl)c2C)C(=O)N3)c1
Basic Information
| ChEMBL ID | CHEMBL4794078 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHAGHRFIEBMQQZ-NXUSMQHESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
505.0
MW (Da)
4.97
ALogP
3
HBA
4
HBD
103.1
PSA (Ų)
0.27
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.54
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 CHEMBL5678 | IC50 | 7.54 | 7.54 | 29.0 | 1 |
| Beta-adrenergic receptor kinase 1 CHEMBL3711550 | IC50 | 4.96 | 4.96 | 11000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 | IC50 | = | 29.0 | nM | 7.54 | Inhibition of human GRK5 using porcine brain tubulin as substrate incubated for ... | 33393767 |
| Beta-adrenergic receptor kinase 1 | IC50 | = | 11000.0 | nM | 4.96 | Inhibition of bovine GRK2 using porcine brain tubulin as substrate incubated for... | 33393767 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33393767 | 10.1021/acs.jmedchem.0c01522 | G protein-coupled receptor kinase 5 | 2 |
| 33393767 | 10.1021/acs.jmedchem.0c01522 | Unchecked | 2 |
| 33393767 | 10.1021/acs.jmedchem.0c01522 | Beta-adrenergic receptor kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine