Compound Detail
CHEMBL520808
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COc1ccc(C2=NC(c3ccc(C(F)(F)F)cc3F)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1
Basic Information
| ChEMBL ID | CHEMBL520808 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UDGVPGNQAALWQS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
523.5
MW (Da)
5.73
ALogP
5
HBA
3
HBD
91.4
PSA (Ų)
0.29
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 7.58 | 7.58 | 26.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 1 | IC50 | = | 26.0 | nM | 7.58 | Inhibition of human recombinant ROCK1 kinase expressed in insect Sf9 cells by SP... | 18842034 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18842034 | 10.1021/jm8005096 | Rho-associated protein kinase 1 | 1 |
Data from ChEMBL 36 via Core Engine