Compound Detail
CHEMBL242942
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Basic Information
| ChEMBL ID | CHEMBL242942 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LJHHYEQRALVSLL-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
241.2
MW (Da)
2.40
ALogP
3
HBA
2
HBD
62.3
PSA (Ų)
0.64
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HaCaT CHEMBL614392 | IC50 | 4.33 | 4.33 | 46300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HaCaT | IC50 | = | 46300.0 | nM | 4.33 | Antiproliferative activity against human HaCaT cells after 48 hrs by phase contr... | 20452101 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20452101 | 10.1016/j.ejmech.2010.04.013 | HaCaT | 2 |
| 17317193 | 10.1016/j.bmc.2007.02.017 | Broad substrate specificity ATP-binding cassette transporter ABCG2 | 1 |
| 20452101 | 10.1016/j.ejmech.2010.04.013 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine