Compound Detail
CHEMBL415061
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Basic Information
| ChEMBL ID | CHEMBL415061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PUDPIQFNZNNYGT-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
334.4
MW (Da)
3.41
ALogP
3
HBA
2
HBD
61.0
PSA (Ų)
0.77
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase CHEMBL2111459 | IC50 | 7.75 | 7.75 | 18.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 7.74 | 7.74 | 18.2 | 1 |
| C-C chemokine receptor type 2 CHEMBL4015 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase | IC50 | = | 18.0 | nM | 7.75 | Inhibition of Rho kinase | 17046269 |
| Unchecked | IC50 | = | 18.2 | nM | 7.74 | Inhibition of ROCK | 20347188 |
| C-C chemokine receptor type 2 | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of MCP1-induced cell migration in U937 cells expressing CCR2 by chemo... | 17046269 |
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