Compound Detail
CHEMBL259003
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Basic Information
| ChEMBL ID | CHEMBL259003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YEYYONQIEGEOIL-ONEGZZNKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
336.3
MW (Da)
3.35
ALogP
4
HBA
2
HBD
85.2
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Caco-2 CHEMBL614058 | IC50 | 4.71 | 4.71 | 19590.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Caco-2 | IC50 | = | 19590.0 | nM | 4.71 | Cytotoxicity against human Caco-2 cells after 3 days by [3H]thymidine incorporat... | 20627379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18272370 | 10.1016/j.bmc.2008.01.051 | Peroxisome proliferator-activated receptor alpha | 1 |
| 20627379 | 10.1016/j.ejmech.2010.05.019 | HT-29 | 1 |
| 20627379 | 10.1016/j.ejmech.2010.05.019 | Caco-2 | 1 |
Data from ChEMBL 36 via Core Engine