Compound Detail
CHEMBL5397889
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Basic Information
| ChEMBL ID | CHEMBL5397889 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PZSTYPJEZHYBAK-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
377.5
MW (Da)
4.33
ALogP
4
HBA
2
HBD
50.7
PSA (Ų)
0.55
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.75
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Jurkat CHEMBL397 | IC50 | 4.75 | 4.75 | 17900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Jurkat | IC50 | = | 17900.0 | nM | 4.75 | Cytotoxicity against human Jurkat cells assessed as cell growth inhibition incub... | 37226718 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37226718 | 10.1021/acs.jmedchem.2c01347 | Jurkat | 1 |
| 37226718 | 10.1021/acs.jmedchem.2c01347 | Programmed cell death protein 1/Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine