Compound Detail
CHEMBL1083115
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1083115 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BGYDDVRMCVTECM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
362.2
MW (Da)
3.47
ALogP
3
HBA
3
HBD
88.0
PSA (Ų)
0.67
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.82 | 7.82 | 15.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 15.0 | nM | 7.82 | Inhibition of ROCK2 by luciferase based ATP detection assay | 20471253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20471253 | 10.1016/j.bmcl.2010.04.069 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine