Compound Detail
CHEMBL3975887
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Basic Information
| ChEMBL ID | CHEMBL3975887 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | DNIPZVZPJPMFKE-GHRIWEEISA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
269.3
MW (Da)
2.33
ALogP
4
HBA
2
HBD
74.6
PSA (Ų)
0.66
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.75
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| H9c2 CHEMBL614576 | EC50 | 4.75 | 4.75 | 17800.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.46 | 4.46 | 34700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| H9c2 | EC50 | = | 17800.0 | nM | 4.75 | Protection against t-BHP-induced oxidative injury in rat H9c2 cells assessed as ... | 27187862 |
| NON-PROTEIN TARGET | IC50 | = | 34700.0 | nM | 4.46 | 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 | NON-PROTEIN TARGET | 1 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | H9c2 | 1 |
| 27187862 | 10.1016/j.ejmech.2016.05.015 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine