Compound Detail
CHEMBL4743024
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Basic Information
| ChEMBL ID | CHEMBL4743024 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SPAVUHZBNQTKFT-WOJGMQOQSA-N |
2
Targets
6
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
314.4
MW (Da)
2.97
ALogP
4
HBA
2
HBD
58.5
PSA (Ų)
0.50
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 7.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MES-SA/Dx5 CHEMBL613827 | IC50 | 7.25 | 7.1967 | 56.0 | 3 |
| MES-SA CHEMBL614343 | IC50 | 7.02 | 6.5933 | 96.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MES-SA/Dx5 | IC50 | = | 56.0 | nM | 7.25 | Cytotoxicity against human MES-SA/DX5 cells transfected with mCherry fluorescent... | 27161177 |
| MES-SA/Dx5 | IC50 | = | 63.1 | nM | 7.2 | Cytotoxicity against human MES-SA/DX5 cells assessed as inhibition of cell proli... | 27161177 |
| MES-SA/Dx5 | IC50 | = | 72.0 | nM | 7.14 | Cytotoxicity against human MES-SA/DX5 cells assessed as inhibition of cell proli... | 27161177 |
| MES-SA | IC50 | = | 96.0 | nM | 7.02 | Cytotoxicity against human MES-SA cells transfected with mCherry fluorescent pro... | 27161177 |
| MES-SA | IC50 | = | 416.87 | nM | 6.38 | Cytotoxicity against human MES-SA cells assessed as inhibition of cell prolifera... | 27161177 |
| MES-SA | IC50 | = | 420.0 | nM | 6.38 | Cytotoxicity against human MES-SA cells assessed as inhibition of cell prolifera... | 27161177 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27161177 | 10.1016/j.ejmech.2016.03.078 | MES-SA | 3 |
| 27161177 | 10.1016/j.ejmech.2016.03.078 | MES-SA/Dx5 | 3 |
Data from ChEMBL 36 via Core Engine