Compound Detail
CHEMBL473045
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COc1cc2c(cc1OS(C)(=O)=O)c(C(=O)c1cc(OC)c(OC)c(OC)c1)cn2S(=O)(=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL473045 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PQIYUOQYPCFNEF-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
575.6
MW (Da)
3.48
ALogP
11
HBA
0
HBD
136.4
PSA (Ų)
0.20
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| B16 CHEMBL381 | IC50 | 5.48 | 5.48 | 3290.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| B16 | IC50 | = | 3290.0 | nM | 5.48 | Cytotoxicity against mouse B16 cells assessed as cell viability after 48 hrs by ... | 18583138 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18583138 | 10.1016/j.bmc.2008.06.002 | Unchecked | 1 |
| 18583138 | 10.1016/j.bmc.2008.06.002 | B16 | 1 |
| 18583138 | 10.1016/j.bmc.2008.06.002 | EA.hy 926 | 1 |
Data from ChEMBL 36 via Core Engine