Compound Detail
CHEMBL4517792
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CNC(=O)c1ccccc1Nc1nc(Nc2ccc(CNC(=O)/C=C/CN(C)C)cc2OC)nc2[nH]ccc12
Basic Information
| ChEMBL ID | CHEMBL4517792 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SWISCBWKKLIOIC-JXMROGBWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
3.55
ALogP
8
HBA
5
HBD
136.3
PSA (Ų)
0.19
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 CHEMBL5678 | IC50 | 4.77 | 4.77 | 17000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G protein-coupled receptor kinase 5 | IC50 | = | 17000.0 | nM | 4.77 | Inhibition of human GRK5 using tubulin as substrate measured after 4 hrs by [gam... | 31857838 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31857838 | 10.1021/acsmedchemlett.9b00365 | G protein-coupled receptor kinase 5 | 2 |
| 31857838 | 10.1021/acsmedchemlett.9b00365 | Unchecked | 2 |
| 31857838 | 10.1021/acsmedchemlett.9b00365 | Beta-adrenergic receptor kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine