Compound Detail
CHEMBL4463884
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O=[N+]([O-])c1ccc2nc(Nc3ccc(OC(F)(F)F)cc3)c(Nc3ccc(OC(F)(F)F)cc3)nc2c1
Basic Information
| ChEMBL ID | CHEMBL4463884 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZDYLVFSBTZPITJ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
525.4
MW (Da)
6.82
ALogP
8
HBA
2
HBD
111.4
PSA (Ų)
0.15
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1703 CHEMBL1075522 | IC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1703 | IC50 | = | 100.0 | nM | 7.0 | Cytotoxicity against human NCI-H1703 cells assessed as reduction in cell viabili... | - |
Data from ChEMBL 36 via Core Engine