Compound Detail
CHEMBL519304
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Basic Information
| ChEMBL ID | CHEMBL519304 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJWNASNCPVFANI-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
379.4
MW (Da)
3.28
ALogP
5
HBA
2
HBD
85.5
PSA (Ų)
0.71
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.52 | 8.52 | 3.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.87 | 5.87 | 1348.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.1 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 3.0 | nM | 8.52 | Inhibition of ROCK2 | 18990570 |
| Unchecked | IC50 | = | 1348.0 | nM | 5.87 | Inhibition of PKA | 18990570 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18990570 | 10.1016/j.bmcl.2008.10.080 | Rho-associated protein kinase 2 | 2 |
| 18990570 | 10.1016/j.bmcl.2008.10.080 | Liver microsomes | 1 |
| 18990570 | 10.1016/j.bmcl.2008.10.080 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine