Compound Detail
CHEMBL5590585
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Basic Information
| ChEMBL ID | CHEMBL5590585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JENLLCYZFDMMTR-QGZVFWFLSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.55
ALogP
4
HBA
3
HBD
93.0
PSA (Ų)
0.63
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Citron Rho-interacting kinase CHEMBL5579 | IC50 | 6.96 | 6.96 | 110.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Citron Rho-interacting kinase | IC50 | = | 110.0 | nM | 6.96 | Inhibition of human recombinant CITK kinase domain assessed as phosphorylation o... | 38330278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38330278 | 10.1021/acs.jmedchem.3c01807 | Citron Rho-interacting kinase | 1 |
Data from ChEMBL 36 via Core Engine