Compound Detail
CHEMBL4226760
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CCC(C)N(C)C(=O)c1cc(C2NC(=O)NC(C)=C2C(=O)Nc2ccc3[nH]ncc3c2)ccc1F
Basic Information
| ChEMBL ID | CHEMBL4226760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CIYRKILUPYIMEP-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
478.5
MW (Da)
3.84
ALogP
4
HBA
4
HBD
119.2
PSA (Ų)
0.43
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.36
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 CHEMBL4079 | IC50 | 4.36 | 4.325 | 44000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 | IC50 | = | 44000.0 | nM | 4.36 | Inhibition of GRK2 (unknown origin) preincubated for 10 mins followed by peptide... | 29627263 |
| Beta-adrenergic receptor kinase 1 | IC50 | = | 51000.0 | nM | 4.29 | Assays for Inhibition of GRKs: GRK1, 2 and 5 kinetic assays were conducted in a ... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29627263 | 10.1016/j.bmcl.2018.03.082 | Beta-adrenergic receptor kinase 1 | 1 |
| 29627263 | 10.1016/j.bmcl.2018.03.082 | Rhodopsin kinase GRK1 | 1 |
| 29627263 | 10.1016/j.bmcl.2018.03.082 | G protein-coupled receptor kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine