Compound Detail
CHEMBL1315175
(Z)-AURONE Enter ChEMBL ID:
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Basic Information
| ChEMBL ID | CHEMBL1315175 |
| Name | (Z)-AURONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OMUOMODZGKSORV-UVTDQMKNSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
16
Publications
0
Known Names
Molecular Properties
222.2
MW (Da)
3.30
ALogP
2
HBA
0
HBD
26.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
1
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.61
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B CHEMBL3980 | IC50 | 4.61 | 4.61 | 24640.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Serine/threonine-protein kinase 17B | IC50 | = | 24640.0 | nM | 4.61 | Inhibition of recombinant GST-tagged DRAK2 (unknown origin) autophosphorylation ... | 28249207 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17263463 | 10.1021/jf062562t | Spodoptera litura | 2 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Unchecked | 2 |
| 37257024 | 10.1021/acs.jnatprod.3c00249 | SARS-CoV-2 | 2 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | Plasmodium falciparum | 1 |
| 24813880 | 10.1016/j.ejmech.2014.04.076 | HEK-293T | 1 |
| 27780618 | 10.1016/j.bmc.2016.10.016 | Acetylcholinesterase | 1 |
| 27780618 | 10.1016/j.bmc.2016.10.016 | Cholinesterase | 1 |
| 28249207 | 10.1016/j.ejmech.2017.02.048 | Serine/threonine-protein kinase 17B | 1 |
| 30665143 | 10.1016/j.ejmech.2019.01.022 | Staphylococcus aureus | 1 |
| 30665143 | 10.1016/j.ejmech.2019.01.022 | Pseudomonas aeruginosa | 1 |
| 35026948 | 10.1021/acs.jnatprod.1c00867 | A549 | 1 |
| 35026948 | 10.1021/acs.jnatprod.1c00867 | MDA-MB-231 | 1 |
| 35026948 | 10.1021/acs.jnatprod.1c00867 | MCF7 | 1 |
| 35026948 | 10.1021/acs.jnatprod.1c00867 | KB | 1 |
| 35026948 | 10.1021/acs.jnatprod.1c00867 | Unchecked | 1 |
| 37257024 | 10.1021/acs.jnatprod.3c00249 | Calu-3 | 1 |
Data from ChEMBL 36 via Core Engine