Compound Detail
CHEMBL225624
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O=C(O[C@@H]1O[C@H](CO)[C@@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H](OC(=O)c2cc(O)c(O)c(O)c2)[C@H]1O)c1cc(O)c(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL225624 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YYJNEVBVNQOVIM-BTPAJHBMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
636.5
MW (Da)
-0.28
ALogP
18
HBA
11
HBD
310.7
PSA (Ų)
0.09
QED
3
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of HCV NS3 serine protease | 17064917 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17064917 | 10.1016/j.bmc.2006.09.074 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine