Compound Detail
CHEMBL3355814
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Basic Information
| ChEMBL ID | CHEMBL3355814 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DUZVEGWVTBVICB-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
371.5
MW (Da)
2.61
ALogP
7
HBA
0
HBD
81.0
PSA (Ų)
0.70
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 4.84
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.84 | 4.795 | 14600.0 | 2 |
| T47D CHEMBL614361 | IC50 | 4.65 | 4.65 | 22500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 14600.0 | nM | 4.84 | Cytotoxicity against human HCT116 cells after 72 hrs by SRB assay | 25462277 |
| NON-PROTEIN TARGET | IC50 | = | 17800.0 | nM | 4.75 | Cytotoxicity against human HuH7 cells after 72 hrs by SRB assay | 25462277 |
| T47D | IC50 | = | 22500.0 | nM | 4.65 | Cytotoxicity against human T47D 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