Compound Detail
CHEMBL4785608
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O=C(Nc1cccc(C(F)(F)F)c1)Nc1cccc2c(Oc3ccc([N+](=O)[O-])cc3)cccc12
Basic Information
| ChEMBL ID | CHEMBL4785608 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BCUZDHQMTZSBDX-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
467.4
MW (Da)
7.20
ALogP
4
HBA
2
HBD
93.5
PSA (Ų)
0.24
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.02
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| MCF7 CHEMBL387 | IC50 | 6.02 | 6.02 | 953.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| MCF7 | IC50 | = | 953.3 | nM | 6.02 | Cytotoxicity against human MCF7 cells assessed as reduction in cell viability in... | 33002846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33002846 | 10.1016/j.ejmech.2020.112851 | MCF7 | 2 |
Data from ChEMBL 36 via Core Engine