Compound Detail
CHEMBL358225
Cresoquinone Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL358225 |
| Name | Cresoquinone |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VTWDKFNVVLAELH-UHFFFAOYSA-N |
5
Targets
6
Activities
1
Assay Types
0
PK Parameters
19
Publications
0
Known Names
Molecular Properties
122.1
MW (Da)
0.64
ALogP
2
HBA
0
HBD
34.1
PSA (Ų)
0.44
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 5.56
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| K562 CHEMBL385 | IC50 | 5.56 | 5.56 | 2750.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.22 | 5.075 | 6000.0 | 2 |
| A2780 CHEMBL614004 | IC50 | 4.92 | 4.92 | 12100.0 | 1 |
| OVCAR-8 CHEMBL612555 | IC50 | 4.87 | 4.87 | 13400.0 | 1 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial CHEMBL4523950 | IC50 | 4.24 | 4.24 | 57000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| K562 | IC50 | = | 2750.0 | nM | 5.56 | In vitro cytotoxicity against Human Chronic Leukemia K562 cells | 8558523 |
| Unchecked | IC50 | = | 6000.0 | nM | 5.22 | Growth inhibition of SV-40 immortalized human ovarian epithelial cells after 72 ... | 29519737 |
| Unchecked | IC50 | = | 11800.0 | nM | 4.93 | Growth inhibition of human A2780cis cells after 72 hrs by SRB assay | 29519737 |
| A2780 | IC50 | = | 12100.0 | nM | 4.92 | Growth inhibition of human A2780 cells after 72 hrs by SRB assay | 29519737 |
| OVCAR-8 | IC50 | = | 13400.0 | nM | 4.87 | Growth inhibition of human OVCAR8 cells after 72 hrs by SRB assay | 29519737 |
| Dihydroorotate dehydrogenase (quinone), mitochondrial | IC50 | = | 57000.0 | nM | 4.24 | Inhibition of Schistosoma mansoni DHODH using DHO as substrate measured at 4 sec... | 30776695 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18461966 | 10.1021/jf800331r | Coptotermes formosanus | 4 |
| 30776695 | 10.1016/j.ejmech.2019.02.018 | Dihydroorotate dehydrogenase (quinone), mitochondrial | 3 |
| 29519737 | 10.1016/j.bmcl.2018.02.051 | Unchecked | 3 |
| 8558523 | 10.1021/jm950629q | Nucleic Acid | 2 |
| 24984937 | 10.1016/j.bmc.2014.06.004 | No relevant target | 2 |
| 8576915 | 10.1021/jm9405147 | No relevant target | 2 |
| 7714539 | 10.1021/np50114a015 | Bacillus subtilis | 1 |
| 7714539 | 10.1021/np50114a015 | Micrococcus luteus | 1 |
| 7714539 | 10.1021/np50114a015 | Candida albicans | 1 |
| 7714539 | 10.1021/np50114a015 | Escherichia coli | 1 |
| 7714539 | 10.1021/np50114a015 | Pseudomonas aeruginosa | 1 |
| 7714539 | 10.1021/np50114a015 | Artemia salina | 1 |
| 7714539 | 10.1021/np50114a015 | Gambusia affinis | 1 |
| 18318466 | 10.1021/jm7014155 | Indoleamine 2,3-dioxygenase 1 | 1 |
| 24984937 | 10.1016/j.bmc.2014.06.004 | Botulinum neurotoxin type A | 1 |
| 29519737 | 10.1016/j.bmcl.2018.02.051 | A2780 | 1 |
| 29519737 | 10.1016/j.bmcl.2018.02.051 | OVCAR-8 | 1 |
| 8576915 | 10.1021/jm9405147 | ADMET | 1 |
| 8558523 | 10.1021/jm950629q | K562 | 1 |
Data from ChEMBL 36 via Core Engine