Compound Detail
CHEMBL2413474
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Basic Information
| ChEMBL ID | CHEMBL2413474 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBKXCORLYUXPOO-GQCTYLIASA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
352.4
MW (Da)
3.98
ALogP
5
HBA
2
HBD
76.6
PSA (Ų)
0.70
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MeWo CHEMBL613300 | IC50 | 5.32 | 5.32 | 4800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.93 | 4.93 | 11800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MeWo | IC50 | = | 4800.0 | nM | 5.32 | Cytotoxicity against human MeWo cells assessed as cell viability after 48 hrs by... | 23830698 |
| NON-PROTEIN TARGET | IC50 | = | 11800.0 | nM | 4.93 | Cytotoxicity against human SH-SY5Y cells assessed as cell viability after 48 hrs... | 23830698 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23830698 | 10.1016/j.bmc.2013.05.053 | MeWo | 3 |
| 23830698 | 10.1016/j.bmc.2013.05.053 | Tubulin | 2 |
| 23830698 | 10.1016/j.bmc.2013.05.053 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine