Compound Detail
CHEMBL4448462
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Basic Information
| ChEMBL ID | CHEMBL4448462 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XGVDTEWKYAYOAZ-CQSZACIVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
376.5
MW (Da)
1.11
ALogP
5
HBA
1
HBD
96.6
PSA (Ų)
0.87
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.93
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Rho-associated protein kinase CHEMBL2111459 | IC50 | 7.93 | 7.93 | 11.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Rho-associated protein kinase | IC50 | = | 11.8 | nM | 7.93 | Inhibition of human ROCK incubated for 20 mins followed by 33P ATP after 120 min... | 31518122 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31518122 | 10.1021/acs.jmedchem.9b00863 | Rho-associated protein kinase | 1 |
Data from ChEMBL 36 via Core Engine