Compound Detail
CHEMBL3338804
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Basic Information
| ChEMBL ID | CHEMBL3338804 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WAMFAGNXEIUJNT-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
563.2
MW (Da)
6.57
ALogP
5
HBA
1
HBD
72.7
PSA (Ų)
0.27
QED
2
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 5.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.02 | 4.98 | 9600.0 | 2 |
| MCF7 CHEMBL387 | IC50 | 4.77 | 4.77 | 16900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 9600.0 | nM | 5.02 | Cytotoxicity against human HCT116 cells after 72 hrs by SRB assay | 25247770 |
| NON-PROTEIN TARGET | IC50 | = | 11500.0 | nM | 4.94 | Cytotoxicity against human HuH7 cells after 72 hrs by SRB assay | 25247770 |
| MCF7 | IC50 | = | 16900.0 | nM | 4.77 | Cytotoxicity against human MCF7 cells after 72 hrs by SRB assay | 25247770 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25247770 | 10.1016/j.ejmech.2014.09.056 | NON-PROTEIN TARGET | 2 |
| 25247770 | 10.1016/j.ejmech.2014.09.056 | MCF7 | 1 |
Data from ChEMBL 36 via Core Engine