Compound Detail
CHEMBL303846
XANTHYLETIN Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL303846 |
| Name | XANTHYLETIN |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QOTBQNVNUBKJMS-UHFFFAOYSA-N |
7
Targets
9
Activities
3
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.98
ALogP
3
HBA
0
HBD
39.4
PSA (Ų)
0.65
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 5 meas. best 5.12
IC50 3 meas. best 5.25
EC50 1 meas. best 5.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| No relevant target CHEMBL2362975 | IC50 | 5.25 | 5.25 | 5655.0 | 1 |
| Carbonic anhydrase 9 CHEMBL3594 | Ki | 5.12 | 5.12 | 7510.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.1 | 5.1 | 8000.0 | 1 |
| Carbonic anhydrase 13 CHEMBL3912 | Ki | 5.08 | 5.08 | 8360.0 | 1 |
| Carbonic anhydrase 7 CHEMBL2326 | Ki | 5.04 | 5.04 | 9180.0 | 1 |
| Carbonic anhydrase 1 CHEMBL261 | Ki | 4.67 | 4.67 | 21500.0 | 1 |
| Carbonic anhydrase 12 CHEMBL3242 | Ki | 4.59 | 4.59 | 25700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| No relevant target | IC50 | = | 5655.0 | nM | 5.25 | PubChem BioAssay. Counterscreen for inhibitors of the fructose-bisphosphate aldo... | - |
| Carbonic anhydrase 9 | Ki | = | 7510.0 | nM | 5.12 | Inhibition of human carbonic anhydrase 9 preincubated for 6 hrs by CO2 hydration... | 22892213 |
| NON-PROTEIN TARGET | EC50 | = | 8000.0 | nM | 5.1 | Neuroprotective activity in human SH-SY5Y cells assessed as reduction in 6-OHDA-... | 27420919 |
| Carbonic anhydrase 13 | Ki | = | 8360.0 | nM | 5.08 | Inhibition of human carbonic anhydrase 13 preincubated for 6 hrs by CO2 hydratio... | 22892213 |
| Carbonic anhydrase 7 | Ki | = | 9180.0 | nM | 5.04 | Inhibition of human carbonic anhydrase 7 preincubated for 6 hrs by CO2 hydration... | 22892213 |
| Carbonic anhydrase 1 | Ki | = | 21500.0 | nM | 4.67 | Inhibition of human carbonic anhydrase 1 preincubated for 6 hrs by CO2 hydration... | 22892213 |
| Carbonic anhydrase 12 | Ki | = | 25700.0 | nM | 4.59 | Inhibition of human carbonic anhydrase 12 preincubated for 6 hrs by CO2 hydratio... | 22892213 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8021652 | 10.1021/np50106a013 | Saccharomyces cerevisiae | 4 |
| 22222157 | 10.1016/j.bmc.2011.12.002 | Beta-secretase 1 | 2 |
| 19128011 | 10.1021/np800689b | NON-PROTEIN TARGET | 2 |
| 8021652 | 10.1021/np50106a013 | Vero | 1 |
| 27420919 | 10.1021/acs.jnatprod.6b00204 | NON-PROTEIN TARGET | 1 |
| 15679322 | 10.1021/np0497447 | Klebsiella pneumoniae | 1 |
| 15679322 | 10.1021/np0497447 | Proteus mirabilis | 1 |
| 15679322 | 10.1021/np0497447 | Escherichia coli | 1 |
| 15679322 | 10.1021/np0497447 | Enterobacter cloacae | 1 |
| 15679322 | 10.1021/np0497447 | Pseudomonas aeruginosa | 1 |
| 15679322 | 10.1021/np0497447 | Staphylococcus epidermidis | 1 |
| 15679322 | 10.1021/np0497447 | Staphylococcus aureus | 1 |
| 15081008 | 10.1016/j.bmcl.2004.02.025 | Glyceraldehyde-3-phosphate dehydrogenase | 1 |
| 15217278 | 10.1021/np030509i | DU-145 | 1 |
| 15217278 | 10.1021/np030509i | KM-20L2 | 1 |
| 15217278 | 10.1021/np030509i | NCI-H460 | 1 |
| 15217278 | 10.1021/np030509i | SF-268 | 1 |
| 15217278 | 10.1021/np030509i | MCF7 | 1 |
| 15217278 | 10.1021/np030509i | BXPC-3 | 1 |
| 15217278 | 10.1021/np030509i | P388 | 1 |
Data from ChEMBL 36 via Core Engine