Compound Detail
CHEMBL5424408
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
NC(=O)c1ccccc1O[C@H]1CC2(C1)C[C@H](N1C(=O)NC(c3ccccc3Cl)C1=O)C2
Basic Information
| ChEMBL ID | CHEMBL5424408 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QPOXUADDMAYECR-ITOOQTKOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
439.9
MW (Da)
3.42
ALogP
4
HBA
2
HBD
101.7
PSA (Ų)
0.70
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 2.0 | nM | 8.7 | Inhibition of ROCK2 (unknown origin) | 36940432 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36940432 | 10.1021/acs.jmedchem.2c01753 | Rho-associated protein kinase 2 | 1 |
Data from ChEMBL 36 via Core Engine