Compound Detail
CHEMBL3918278
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
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)C(c2ccc(F)cc2)N=C(c2ccc(C(F)(F)F)cc2)N1
Basic Information
| ChEMBL ID | CHEMBL3918278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IGMLHWBGVRCIDD-UHFFFAOYSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
493.5
MW (Da)
5.72
ALogP
4
HBA
3
HBD
82.2
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 CHEMBL3711550 | IC50 | 5.6 | 5.6 | 2500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Beta-adrenergic receptor kinase 1 | IC50 | = | 2500.0 | nM | 5.6 | Inhibition of bovine GRK2 S670A mutant assessed as decrease in phosphorylation o... | 27362616 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27362616 | 10.1021/acs.jmedchem.5b01939 | G protein-coupled receptor kinase 5 | 1 |
| 27362616 | 10.1021/acs.jmedchem.5b01939 | Rhodopsin kinase GRK1 | 1 |
| 27362616 | 10.1021/acs.jmedchem.5b01939 | Beta-adrenergic receptor kinase 1 | 1 |
| 27362616 | 10.1021/acs.jmedchem.5b01939 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine