Compound Detail
CHEMBL55659
ANTHRAQUINONE 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 | CHEMBL55659 |
| Name | ANTHRAQUINONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RZVHIXYEVGDQDX-UHFFFAOYSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
20
Publications
0
Known Names
Molecular Properties
208.2
MW (Da)
2.46
ALogP
2
HBA
0
HBD
34.1
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 6.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| A2780 CHEMBL614004 | IC50 | 6.24 | 6.24 | 580.0 | 1 |
| Plasmodium falciparum CHEMBL364 | IC50 | 5.3 | 5.3 | 5000.0 | 1 |
| M-phase inducer phosphatase 2 CHEMBL4804 | IC50 | 5.02 | 5.02 | 9510.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| A2780 | IC50 | = | 580.0 | nM | 6.24 | Antiproliferative activity against human A2780 cells after 2 days by alamar-blue... | 19028102 |
| Plasmodium falciparum | IC50 | = | 5000.0 | nM | 5.3 | In vitro inhibitory activity against Plasmodium falciparum D6 | - |
| M-phase inducer phosphatase 2 | IC50 | = | 9510.0 | nM | 5.02 | Inhibition of histidine-tagged human recombinant Cdc25B catalytic domain express... | 19028102 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29519735 | 10.1016/j.bmcl.2018.02.043 | Histone-lysine N-methyltransferase EHMT1 | 4 |
| 29519735 | 10.1016/j.bmcl.2018.02.043 | Histone-lysine N-methyltransferase EHMT2 | 4 |
| 11459643 | 10.1016/s0960-894x(01)00318-3 | Estrogen receptor | 3 |
| 22499556 | 10.1002/ps.3288 | Zea mays | 2 |
| 11128637 | 10.1016/s0960-894x(00)00530-8 | Glutamate NMDA receptor | 2 |
| - | 10.6019/CHEMBL4808148 | Histone deacetylase 6 | 2 |
| 12903946 | 10.1021/jf034359t | Botrytis cinerea | 2 |
| 7494143 | 10.1021/np50123a005 | Unchecked | 2 |
| - | 10.6019/CHEMBL4495565 | SARS-CoV-2 | 2 |
| 12903946 | 10.1021/jf034359t | Brassica oleracea | 2 |
| 23163769 | 10.1021/jf303584r | Erwinia amylovora | 1 |
| 12903946 | 10.1021/jf034359t | Capsicum annuum | 1 |
| 34915314 | 10.1016/j.bmc.2021.116558 | Amine oxidase [flavin-containing] B | 1 |
| 12903946 | 10.1021/jf034359t | Solanum melongena | 1 |
| 12903946 | 10.1021/jf034359t | Brassica oleracea var. italica | 1 |
| 12903946 | 10.1021/jf034359t | Lactuca sativa | 1 |
| 18556196 | 10.1016/j.bmcl.2008.05.109 | Unchecked | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | Dual specificity protein phosphatase 6 | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | Dual specificity protein phosphatase 1 | 1 |
| 19028102 | 10.1016/j.bmc.2008.10.090 | M-phase inducer phosphatase 2 | 1 |
Data from ChEMBL 36 via Core Engine