Compound Detail
CHEMBL4227754
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CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)c(CCC(=O)NCC3(CO)CC3)c2)NC(=O)N1
Basic Information
| ChEMBL ID | CHEMBL4227754 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MRFFVYCGQCPHFX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
520.6
MW (Da)
2.79
ALogP
5
HBA
6
HBD
148.2
PSA (Ų)
0.26
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 CHEMBL4079 | IC50 | 5.42 | 5.42 | 3800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 | IC50 | = | 3800.0 | nM | 5.42 | Inhibition of GRK2 (unknown origin) preincubated for 10 mins followed by peptide... | 29627263 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29627263 | 10.1016/j.bmcl.2018.03.082 | Rhodopsin kinase GRK1 | 1 |
| 29627263 | 10.1016/j.bmcl.2018.03.082 | Beta-adrenergic receptor kinase 1 | 1 |
| 29627263 | 10.1016/j.bmcl.2018.03.082 | G protein-coupled receptor kinase 5 | 1 |
Data from ChEMBL 36 via Core Engine