Compound Detail
CHEMBL4444558
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CCOc1ccc(-c2nc(C(N)=O)c3[nH]c(=O)n(-c4cc(C(F)(F)F)cc(C(F)(F)F)c4)c3n2)cc1
Basic Information
| ChEMBL ID | CHEMBL4444558 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZEXNIGGJLKNRKM-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
511.4
MW (Da)
4.31
ALogP
6
HBA
2
HBD
115.9
PSA (Ų)
0.39
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.78
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NCI-H1975 CHEMBL614348 | IC50 | 4.78 | 4.78 | 16800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NCI-H1975 | IC50 | = | 16800.0 | nM | 4.78 | Antiproliferative activity against human NCI-H1975 cells incubated for 48 hrs by... | 31376567 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31376567 | 10.1016/j.ejmech.2019.07.054 | NCI-H1975 | 1 |
Data from ChEMBL 36 via Core Engine