Compound Detail
CHEMBL1774771
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O=C(CCc1ccc(O)cc1)C[C@H](CCc1ccc(O)cc1)O[C@@H]1O[C@H](CO[C@@H]2OC[C@](O)(CO)[C@H]2O)[C@@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL1774771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | FBJBPTHRQGMFOK-ZRAWXLKHSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
608.6
MW (Da)
-0.73
ALogP
13
HBA
8
HBD
215.8
PSA (Ų)
0.13
QED
3
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.46
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.46 | 4.46 | 34900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 34900.0 | nM | 4.46 | Antifibrotic activity against rat HSC-T6 cells assessed as inhibition of prolife... | 21504848 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21504848 | 10.1016/j.bmcl.2011.03.074 | NON-PROTEIN TARGET | 2 |
Data from ChEMBL 36 via Core Engine