Compound Detail
CHEMBL5266579
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Basic Information
| ChEMBL ID | CHEMBL5266579 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KCRLHBZJKVKRTN-ZETCQYMHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
282.3
MW (Da)
-0.61
ALogP
7
HBA
5
HBD
156.2
PSA (Ų)
0.25
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat E6.1 CHEMBL4296446 | IC50 | 4.7 | 4.7 | 20000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat E6.1 | IC50 | = | 20000.0 | nM | 4.7 | Cytotoxicity against human Jurkat E6.1 cells assessed as inhibition of cell grow... | 32791404 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32791404 | 10.1016/j.ejmech.2020.112679 | Jurkat E6.1 | 1 |
| 32791404 | 10.1016/j.ejmech.2020.112679 | Histone deacetylase 8 | 1 |
Data from ChEMBL 36 via Core Engine