Compound Detail
CHEMBL510492
XESTOQUINONE Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL510492 |
| Name | XESTOQUINONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HDONDRKCXFRHQQ-FQEVSTJZSA-N |
5
Targets
7
Activities
1
Assay Types
0
PK Parameters
11
Publications
0
Known Names
Molecular Properties
318.3
MW (Da)
3.40
ALogP
4
HBA
0
HBD
64.3
PSA (Ų)
0.75
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 7 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 CHEMBL2157850 | IC50 | 6.89 | 6.89 | 130.0 | 2 |
| Unchecked CHEMBL612545 | IC50 | 6.0 | 6.0 | 1000.0 | 1 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha CHEMBL2221345 | IC50 | 5.14 | 5.025 | 7300.0 | 2 |
| T47D CHEMBL614361 | IC50 | 4.86 | 4.86 | 13800.0 | 1 |
| MDA-MB-231 CHEMBL400 | IC50 | 4.69 | 4.69 | 20600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human recombinant 6His-tagged USP7 using Ub-Rh110 as substrate pre... | 28768102 |
| Ubiquitin carboxyl-terminal hydrolase 7 | IC50 | = | 130.0 | nM | 6.89 | Inhibition of human USP7 using ubiquitin-Rh110 as substrate incubated for 30 min... | 32092586 |
| Unchecked | IC50 | = | 1000.0 | nM | 6.0 | Inhibition of Plasmodium falciparum Pfnek1 | 18512987 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 7300.0 | nM | 5.14 | Inhibition of 1,10-phenanthroline-induced HIF1 activation in human T47D cells af... | 22938093 |
| Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | IC50 | = | 12300.0 | nM | 4.91 | Inhibition of hypoxia-induced HIF1 activation in human T47D cells after 16 hrs b... | 22938093 |
| T47D | IC50 | = | 13800.0 | nM | 4.86 | Cytotoxicity against human T47D cells after 48 hrs by SRB assay | 22938093 |
| MDA-MB-231 | IC50 | = | 20600.0 | nM | 4.69 | Cytotoxicity against human MDA-MB-231 cells after 48 hrs by SRB assay | 22938093 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22938093 | 10.1021/np3002892 | T47D | 5 |
| 22938093 | 10.1021/np3002892 | Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha | 4 |
| 22938093 | 10.1021/np3002892 | Hep 3B2 | 2 |
| - | 10.1021/np50085a028 | DNA topoisomerase 1 | 1 |
| - | 10.1021/np50085a028 | L1210 | 1 |
| - | 10.1021/np50085a028 | KB | 1 |
| 18512987 | 10.1021/np8000909 | Unchecked | 1 |
| 22938093 | 10.1021/np3002892 | MDA-MB-231 | 1 |
| 22928967 | 10.1021/np300211x | Endothelial PAS domain-containing protein 1 | 1 |
| 28768102 | 10.1021/acs.jmedchem.7b00498 | Ubiquitin carboxyl-terminal hydrolase 7 | 1 |
| 32092586 | 10.1016/j.ejmech.2020.112107 | Ubiquitin carboxyl-terminal hydrolase 7 | 1 |
Data from ChEMBL 36 via Core Engine