Compound Detail
CHEMBL3415513
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Basic Information
| ChEMBL ID | CHEMBL3415513 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PLUZGXZVXGMQFE-JZJYNLBNSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
344.4
MW (Da)
2.68
ALogP
5
HBA
3
HBD
70.9
PSA (Ų)
0.30
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A549 CHEMBL392 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.07 | 4.07 | 85100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A549 | IC50 | = | 40000.0 | nM | 4.4 | Cytotoxicity against human A549 cells by SRB assay | 25884112 |
| NON-PROTEIN TARGET | IC50 | = | 85100.0 | nM | 4.07 | Cytotoxicity against human HCT116 cells by SRB assay | 25884112 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25884112 | 10.1016/j.ejmech.2015.04.001 | NON-PROTEIN TARGET | 1 |
| 25884112 | 10.1016/j.ejmech.2015.04.001 | A549 | 1 |
Data from ChEMBL 36 via Core Engine