Compound Detail
CHEMBL224417
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Basic Information
| ChEMBL ID | CHEMBL224417 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IALIUHKRIFAJDB-OYRHEFFESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
345.5
MW (Da)
4.79
ALogP
3
HBA
2
HBD
37.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase CHEMBL2111459 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 6.24 | 6.24 | 575.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase | IC50 | = | 580.0 | nM | 6.24 | Inhibition of Rho kinase | 17084087 |
| Unchecked | IC50 | = | 575.44 | nM | 6.24 | Inhibition of ROCK | 20347188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17084087 | 10.1016/j.bmc.2006.10.028 | Rho-associated protein kinase | 1 |
| 20347188 | 10.1016/j.ejmech.2010.02.059 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine