Compound Detail
CHEMBL476506
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Basic Information
| ChEMBL ID | CHEMBL476506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UADBPJPLVDEBOC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
226.2
MW (Da)
1.87
ALogP
4
HBA
0
HBD
64.3
PSA (Ų)
0.59
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
| HaCaT CHEMBL614392 | IC50 | 5.56 | 5.56 | 2760.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2000.0 | nM | 5.7 | Cytotoxicity against rat H4IIE cells by XTT assay | 10425117 |
| HaCaT | IC50 | = | 2760.0 | nM | 5.56 | Antihyperproliferative activity against human HaCaT cells after 48 hrs by phase ... | 22845014 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10425117 | 10.1021/np9900019 | Saccharomyces cerevisiae | 2 |
| 22845014 | 10.1021/jm3009597 | HaCaT | 2 |
| 10425117 | 10.1021/np9900019 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine