Compound Detail
CHEMBL446323
3,4-DIHYDROXYXANTHONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL446323 |
| Name | 3,4-DIHYDROXYXANTHONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YFVCSEXMOBEPQB-UHFFFAOYSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
228.2
MW (Da)
2.36
ALogP
4
HBA
2
HBD
70.7
PSA (Ų)
0.46
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 5.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 CHEMBL230 | IC50 | 5.72 | 5.72 | 1890.0 | 1 |
| Tyrosinase CHEMBL1973 | IC50 | 5.29 | 5.29 | 5120.0 | 1 |
| COLO 320 CHEMBL614257 | IC50 | 4.14 | 4.14 | 73000.0 | 1 |
| HepG2 CHEMBL395 | IC50 | 4.05 | 4.05 | 89700.0 | 1 |
| MCF7 CHEMBL387 | IC50 | 4.03 | 4.03 | 93200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin G/H synthase 2 | IC50 | = | 1890.0 | nM | 5.72 | Inhibition of human COX2 expressed in sf9 cells | 16252917 |
| Tyrosinase | IC50 | = | 5120.0 | nM | 5.29 | Inhibition of Tyrosinase (unknown origin) using tyrosine as substrate incubated ... | 33242700 |
| COLO 320 | IC50 | = | 73000.0 | nM | 4.14 | Antiproliferative activity against human COLO320 cells after 48 hrs by CCK8 assa... | 28376372 |
| HepG2 | IC50 | = | 89700.0 | nM | 4.05 | Antiproliferative activity against human HepG2 cells after 48 hrs by CCK8 assay | 28376372 |
| MCF7 | IC50 | = | 93200.0 | nM | 4.03 | Antiproliferative activity against human MCF7 cells after 48 hrs by CCK8 assay | 28376372 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33242700 | 10.1016/j.bmc.2020.115873 | Unchecked | 3 |
| - | 10.1007/s00044-012-0203-y | Caco-2 | 3 |
| 33242700 | 10.1016/j.bmc.2020.115873 | Tyrosinase | 2 |
| 29626799 | 10.1016/j.ejmech.2018.03.036 | 3T3-L1 | 2 |
| 29626799 | 10.1016/j.ejmech.2018.03.036 | Danio rerio | 2 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | MCF7 | 1 |
| 36863494 | 10.1016/j.bmcl.2023.129211 | BHK-21 | 1 |
| 36863494 | 10.1016/j.bmcl.2023.129211 | Human coronavirus OC43 | 1 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | COLO 320 | 1 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | K562 | 1 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | HepG2 | 1 |
| 16252917 | 10.1021/np0502342 | Prostaglandin G/H synthase 2 | 1 |
| 28376372 | 10.1016/j.ejmech.2017.03.068 | MDA-MB-231 | 1 |
| - | 10.1007/s00044-012-0203-y | ATP-dependent translocase ABCB1 | 1 |
| 19428155 | 10.1016/j.ejmech.2009.04.011 | MDA-MB-231 | 1 |
| 19428155 | 10.1016/j.ejmech.2009.04.011 | MCF7 | 1 |
| 19428155 | 10.1016/j.ejmech.2009.04.011 | NCI-H460 | 1 |
| 19428155 | 10.1016/j.ejmech.2009.04.011 | SF-268 | 1 |
| 16252917 | 10.1021/np0502342 | Prostaglandin G/H synthase 1 | 1 |
Data from ChEMBL 36 via Core Engine