Compound Detail
CHEMBL486760
XANTHENE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL486760 |
| Name | XANTHENE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GJCOSYZMQJWQCA-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
182.2
MW (Da)
3.38
ALogP
1
HBA
0
HBD
9.2
PSA (Ų)
0.52
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 5.13
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B CHEMBL2039 | IC50 | 5.13 | 5.13 | 7420.0 | 1 |
| Amine oxidase [flavin-containing] A CHEMBL1951 | IC50 | 4.61 | 4.61 | 24800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Amine oxidase [flavin-containing] B | IC50 | = | 7420.0 | nM | 5.13 | Inhibition of recombinant human MAO-B expressed in baculovirus infected BTI inse... | 34915314 |
| Amine oxidase [flavin-containing] A | IC50 | = | 24800.0 | nM | 4.61 | Inhibition of recombinant human MAO-A expressed in baculovirus infected BTI inse... | 34915314 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19056282 | 10.1016/j.bmc.2008.11.040 | ADMET | 1 |
| - | 10.6019/CHEMBL3301361 | No relevant target | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] A | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] B | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine