Compound Detail
CHEMBL3883394
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Basic Information
| ChEMBL ID | CHEMBL3883394 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFHYFHPUEDAFIS-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
346.4
MW (Da)
4.05
ALogP
5
HBA
0
HBD
51.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.6 | 4.6 | 25380.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 25380.0 | nM | 4.6 | Cytotoxicity against human HeLa cells after 72 hrs by MTT assay | 27521587 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27521587 | 10.1016/j.ejmech.2016.07.063 | Unchecked | 6 |
| 27521587 | 10.1016/j.ejmech.2016.07.063 | NON-PROTEIN TARGET | 2 |
| 27521587 | 10.1016/j.ejmech.2016.07.063 | DNA topoisomerase 2-alpha | 1 |
Data from ChEMBL 36 via Core Engine