Compound Detail
CHEMBL1774774
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OC[C@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](O[C@H](CCCCc3ccc(O)c(O)c3)CCc3ccc(O)c(O)c3)OC[C@H]2O)[C@H](O)[C@@H](O)[C@@H]1O
Basic Information
| ChEMBL ID | CHEMBL1774774 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XQPKKOQWBSSHEF-JKJJEPENSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
626.6
MW (Da)
-0.50
ALogP
14
HBA
10
HBD
239.2
PSA (Ų)
0.10
QED
3
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.26 | 4.26 | 54900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 54900.0 | nM | 4.26 | 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 |
| 33422907 | 10.1016/j.bmc.2020.115971 | RAW264.7 | 2 |
Data from ChEMBL 36 via Core Engine