Compound Detail
CHEMBL236398
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CC(=O)C1(O)C(c2cc3oc(=O)c4cc(O)c(O)cc4c3c(=O)o2)=Cc2cc(O)c(O)cc21
Basic Information
| ChEMBL ID | CHEMBL236398 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NITFEFGLVNCSOC-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
450.4
MW (Da)
2.05
ALogP
10
HBA
5
HBD
178.6
PSA (Ų)
0.22
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.04
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.04 | 4.04 | 90800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 90800.0 | nM | 4.04 | Antioxidant activity assessed as superoxide radical scavenging activity by xanth... | 17980585 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17980585 | 10.1016/j.bmcl.2007.10.072 | Unchecked | 2 |
| 17980585 | 10.1016/j.bmcl.2007.10.072 | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine