Compound Detail
CHEMBL4101522
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O=C(/C=C/c1ccc2c(c1)O[C@H](c1ccc(O)c(O)c1)[C@@H](C(=O)O)O2)O/C=C\c1ccc(O)c(O)c1
Basic Information
| ChEMBL ID | CHEMBL4101522 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IPAMUSNFJKLZHQ-FIGZXODZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
492.4
MW (Da)
3.70
ALogP
9
HBA
5
HBD
163.0
PSA (Ų)
0.15
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 5.7 | 5.7 | 2000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 2000.0 | nM | 5.7 | Inhibition of butter milk xanthine oxidase (unknown origin) assessed as reductio... | 28478180 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28478180 | 10.1016/j.ejmech.2017.04.031 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine