Compound Detail
CHEMBL3787242
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Basic Information
| ChEMBL ID | CHEMBL3787242 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OSFVQNHQMNJMRP-DNJQJEMRSA-N |
1
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
276.3
MW (Da)
-0.43
ALogP
4
HBA
3
HBD
86.6
PSA (Ų)
0.60
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 6.55 | 6.0233 | 280.0 | 3 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 280.0 | nM | 6.55 | Cytotoxicity against human OVACR3 cells after 48 hrs by crystal violet staining ... | 26951751 |
| NON-PROTEIN TARGET | IC50 | = | 310.0 | nM | 6.51 | Cytotoxicity against human IGROV cells after 48 hrs by crystal violet staining b... | 26951751 |
| NON-PROTEIN TARGET | IC50 | = | 9770.0 | nM | 5.01 | Cytotoxicity against human CLL cells after 24 hrs by annexin-V/PI staining based... | 26951751 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26951751 | 10.1016/j.bmcl.2016.02.051 | NON-PROTEIN TARGET | 5 |
| 26951751 | 10.1016/j.bmcl.2016.02.051 | HeLa | 1 |
| 26951751 | 10.1016/j.bmcl.2016.02.051 | A-431 | 1 |
Data from ChEMBL 36 via Core Engine