Compound Detail
CHEMBL5285742
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Basic Information
| ChEMBL ID | CHEMBL5285742 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SEUGRXZAXYVQIH-QVOMYVINSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
425.4
MW (Da)
4.93
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.22
QED
0
Ro5 Violations
11
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HA22T cell line CHEMBL614807 | IC50 | 6.39 | 6.39 | 410.0 | 1 |
| Hep 3B2 CHEMBL4296437 | IC50 | 6.33 | 6.33 | 470.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 6.23 | 6.23 | 590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HA22T cell line | IC50 | = | 410.0 | nM | 6.39 | Cytotoxicity against human HA22T cells by MTT assay | 34128674 |
| Hep 3B2 | IC50 | = | 470.0 | nM | 6.33 | Cytotoxicity against human Hep3B cells by MTT assay | 34128674 |
| HepG2 | IC50 | = | 590.0 | nM | 6.23 | Cytotoxicity against human HepG2 cells by MTT assay | 34128674 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 34128674 | 10.1021/acs.jmedchem.0c02026 | Hep 3B2 | 1 |
| 34128674 | 10.1021/acs.jmedchem.0c02026 | HepG2 | 1 |
| 34128674 | 10.1021/acs.jmedchem.0c02026 | HA22T cell line | 1 |
Data from ChEMBL 36 via Core Engine