Compound Detail
CHEMBL224076
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Basic Information
| ChEMBL ID | CHEMBL224076 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NADOEEYDSDQIHP-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
280.4
MW (Da)
3.11
ALogP
3
HBA
2
HBD
44.0
PSA (Ų)
0.73
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase CHEMBL2111459 | IC50 | 5.1 | 5.1 | 7900.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.1 | 5.1 | 7943.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase | IC50 | = | 7900.0 | nM | 5.1 | Inhibition of Rho kinase | 17046269 |
| Unchecked | IC50 | = | 7943.28 | nM | 5.1 | Inhibition of ROCK | 20347188 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17046269 | 10.1016/j.bmc.2006.09.052 | Rho-associated protein kinase | 1 |
| 17046269 | 10.1016/j.bmc.2006.09.052 | C-C chemokine receptor type 2 | 1 |
| 20347188 | 10.1016/j.ejmech.2010.02.059 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine