Compound Detail
CHEMBL3968515
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Basic Information
| ChEMBL ID | CHEMBL3968515 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRXQVDGZFYPHJU-PXLXIMEGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
330.4
MW (Da)
4.21
ALogP
3
HBA
2
HBD
61.7
PSA (Ų)
0.56
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 5.57 | 5.455 | 2700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 2700.0 | nM | 5.57 | Cytotoxicity against human HL60 cells assessed as decrease in cell viability aft... | 27187862 |
| NON-PROTEIN TARGET | IC50 | = | 4600.0 | nM | 5.34 | Cytotoxicity against human MCF7 cells assessed as decrease in cell viability aft... | 27187862 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27187862 | 10.1016/j.ejmech.2016.05.015 | No relevant target | 3 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | H9c2 | 3 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | MCF7 | 2 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | NON-PROTEIN TARGET | 2 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | Rattus norvegicus | 1 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine