Compound Detail
CHEMBL3355393
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Basic Information
| ChEMBL ID | CHEMBL3355393 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZCDQUZQTBXGTJN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
293.2
MW (Da)
2.98
ALogP
4
HBA
2
HBD
66.5
PSA (Ų)
0.78
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.17 | 4.17 | 68300.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 68300.0 | nM | 4.17 | Cytotoxicity against human HuH7 cells after 72 hrs by SRB assay | 25462277 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25462277 | 10.1016/j.ejmech.2014.10.080 | NON-PROTEIN TARGET | 2 |
| 25462277 | 10.1016/j.ejmech.2014.10.080 | T47D | 1 |
Data from ChEMBL 36 via Core Engine