Compound Detail
CHEMBL366760
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H]1C[C@@](O)(C(=O)O)C[C@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL366760 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CWVRJTMFETXNAD-KJOPMHRFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
354.3
MW (Da)
-0.65
ALogP
8
HBA
6
HBD
164.8
PSA (Ų)
0.23
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 CHEMBL3580522 | IC50 | 4.44 | 4.44 | 36560.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Programmed cell death 1 ligand 1 | IC50 | = | 36560.0 | nM | 4.44 | Antagonist activity against PDL1 (unknown origin) | 30384043 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25160837 | 10.1016/j.bmcl.2014.08.024 | NON-PROTEIN TARGET | 2 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | SiHa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HeLa | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | BeWo | 1 |
| 25160837 | 10.1016/j.bmcl.2014.08.024 | HepG2 | 1 |
| 30384043 | 10.1016/j.ejmech.2018.10.044 | Programmed cell death 1 ligand 1 | 1 |
Data from ChEMBL 36 via Core Engine