Compound Detail
CHEMBL5437972
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Basic Information
| ChEMBL ID | CHEMBL5437972 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPDBRFJICUJWEB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
336.4
MW (Da)
1.52
ALogP
6
HBA
3
HBD
91.7
PSA (Ų)
0.74
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase 2 CHEMBL2973 | IC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase 2 | IC50 | = | 14.0 | nM | 7.85 | 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