Compound Detail
CHEMBL1253860
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O=C(CN1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1)NCc1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL1253860 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YSZHIOFSDAEECC-MSKUYSOUSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
476.5
MW (Da)
4.77
ALogP
3
HBA
1
HBD
49.4
PSA (Ų)
0.52
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.34
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.34 | 4.34 | 46000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 46000.0 | nM | 4.34 | Antiproliferative activity against human H441 cells assessed as decrease of hexo... | 20638855 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20638855 | 10.1016/j.bmc.2010.06.055 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine