Compound Detail
CHEMBL1192
XANTHOTOXOL Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1192 |
| Name | XANTHOTOXOL |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JWVYQQGERKEAHW-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
202.2
MW (Da)
2.24
ALogP
4
HBA
1
HBD
63.6
PSA (Ų)
0.57
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 4 meas. best 4.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.99 | 4.99 | 10300.0 | 1 |
| Radical scavenging activity CHEMBL613712 | IC50 | 4.16 | 4.16 | 69600.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 4.05 | 4.05 | 89000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | IC50 | = | 10300.0 | nM | 4.99 | Antioxidant activity assessed as ABTS radical scavenging activity measured up to... | 20332056 |
| Radical scavenging activity | IC50 | = | 69600.0 | nM | 4.16 | Antioxidant activity assessed as DPPH radical scavenging activity measured up to... | 20332056 |
| Unchecked | IC50 | = | 89000.0 | nM | 4.05 | Inhibition of soybean LOX using sodium linoleate as substrate by spectrophotomet... | 23291118 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15217285 | 10.1021/np049933p | Hepatitis B virus | 6 |
| 20332056 | 10.1016/j.ejmech.2010.02.044 | NON-PROTEIN TARGET | 6 |
| 15217285 | 10.1021/np049933p | ADMET | 3 |
| 19939683 | 10.1016/j.bmc.2009.10.004 | Beta-secretase 1 | 2 |
| 22222157 | 10.1016/j.bmc.2011.12.002 | Beta-secretase 1 | 2 |
| 22521371 | 10.1016/j.ejmech.2012.03.052 | NON-PROTEIN TARGET | 2 |
| 23291118 | 10.1016/j.ejmech.2012.11.043 | Radical scavenging activity | 2 |
| 19054677 | 10.1016/j.bmc.2008.11.039 | HT-29 | 1 |
| 19054677 | 10.1016/j.bmc.2008.11.039 | 3T3-L1 | 1 |
| 20332056 | 10.1016/j.ejmech.2010.02.044 | Radical scavenging activity | 1 |
| 20832915 | 10.1016/j.ejmech.2010.08.045 | Helicobacter pylori | 1 |
| 22521371 | 10.1016/j.ejmech.2012.03.052 | Radical scavenging activity | 1 |
| 23291118 | 10.1016/j.ejmech.2012.11.043 | No relevant target | 1 |
| 23291118 | 10.1016/j.ejmech.2012.11.043 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine