Compound Detail
CHEMBL1253506
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CCCCCCCCCCCCCCCC/C=C/C(CC(=O)O)C(=O)N1C/C(=C\c2ccccc2F)C(=O)/C(=C/c2ccccc2F)C1
Basic Information
| ChEMBL ID | CHEMBL1253506 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ONHXXAVPZYCXMW-BWRHJGSVSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
661.9
MW (Da)
10.36
ALogP
3
HBA
1
HBD
74.7
PSA (Ų)
0.08
QED
2
Ro5 Violations
21
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.08
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.08 | 4.08 | 84000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 84000.0 | nM | 4.08 | 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