Compound Detail
CHEMBL2419278
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 | CHEMBL2419278 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DVCLJVOQDUIPOT-HNCPQSOCSA-N |
| Parent Compound | CHEMBL3040797 |
| Active Moiety | CHEMBL3040797 |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
241.3
MW (Da)
2.35
ALogP
3
HBA
2
HBD
68.0
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.41
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 6.41 | 6.41 | 390.0 | 1 |
| Rho-associated protein kinase 1 CHEMBL3231 | IC50 | 6.24 | 6.24 | 570.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 390.0 | nM | 6.41 | Inhibition of ROCK2 (unknown origin) | 23275831 |
| Rho-associated protein kinase 1 | IC50 | = | 570.0 | nM | 6.24 | Inhibition of ROCK1 (unknown origin) | 23275831 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23953690 | 10.1016/j.bmc.2013.07.039 | HT-1080 | 1 |
| 23275831 | 10.1039/c2md00320a | Rho-associated protein kinase 1 | 1 |
| 23275831 | 10.1039/c2md00320a | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine