Compound Detail
CHEMBL2441917
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Basic Information
| ChEMBL ID | CHEMBL2441917 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GINSOIBBVRVZOP-WYMLVPIESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
360.4
MW (Da)
4.49
ALogP
4
HBA
2
HBD
66.8
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Radical scavenging activity CHEMBL613712 | IC50 | 4.73 | 4.73 | 18500.0 | 1 |
| LNCaP CHEMBL612518 | IC50 | 4.68 | 4.68 | 20800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Radical scavenging activity | IC50 | = | 18500.0 | nM | 4.73 | Antioxidant activity assessed as DPPH radical scavenging activity after 30 mins ... | 24080105 |
| LNCaP | IC50 | = | 20800.0 | nM | 4.68 | Cytotoxicity against human LNCAP cells assessed as reduction in cell viability a... | 24080105 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24080105 | 10.1016/j.bmc.2013.08.057 | LNCaP | 4 |
| 24080105 | 10.1016/j.bmc.2013.08.057 | Radical scavenging activity | 1 |
Data from ChEMBL 36 via Core Engine