Compound Detail
CHEMBL491499
ZEARALANONE 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 | CHEMBL491499 |
| Name | ZEARALANONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | APJDQUGPCJRQRJ-LBPRGKRZSA-N |
4
Targets
7
Activities
2
Assay Types
0
PK Parameters
14
Publications
0
Known Names
Molecular Properties
320.4
MW (Da)
3.50
ALogP
5
HBA
2
HBD
83.8
PSA (Ų)
0.71
QED
0
Ro5 Violations
0
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 7.05
EC50 2 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Estrogen receptor beta CHEMBL242 | EC50 | 7.42 | 6.8 | 38.0 | 2 |
| Heat shock protein HSP 90-beta CHEMBL4303 | IC50 | 7.05 | 7.05 | 90.0 | 1 |
| Heat shock protein HSP90 CHEMBL2095165 | IC50 | 5.66 | 5.66 | 2197.6 | 1 |
| Androgen receptor CHEMBL3072 | IC50 | 5.0 | 4.685 | 10000.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Estrogen receptor beta | EC50 | = | 38.0 | nM | 7.42 | Agonist activity at ERbeta by fluorescence polarization assay | 12828470 |
| Heat shock protein HSP 90-beta | IC50 | = | 90.0 | nM | 7.05 | Inhibition of Hsp90 | 19017562 |
| Estrogen receptor beta | EC50 | = | 660.0 | nM | 6.18 | Agonist activity at ERbeta by fluorescence polarization assay | 12828470 |
| Heat shock protein HSP90 | IC50 | = | 2197.6 | nM | 5.66 | PUBCHEM_BIOASSAY: Tumor Hsp90 Inhibitors Dose Response Confirmation. (Class of a... | - |
| Androgen receptor | IC50 | = | 10000.0 | nM | 5.0 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
| Androgen receptor | IC50 | = | 42657.95 | nM | 4.37 | Inhibitory concentration against recombinant rat androgen receptor expressed in ... | 16134935 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16134935 | 10.1021/jm050403f | Androgen receptor | 2 |
| 12828470 | 10.1021/np020556v | Human alphaherpesvirus 1 | 2 |
| 12828470 | 10.1021/np020556v | Estrogen receptor beta | 2 |
| 27311894 | 10.1016/j.bmcl.2016.06.007 | KB | 2 |
| 27311894 | 10.1016/j.bmcl.2016.06.007 | MCF7 | 2 |
| - | 10.6019/CHEMBL5096127 | Schistosoma mansoni | 2 |
| 16499313 | 10.1021/np058095b | ADMET | 1 |
| 19017562 | 10.1016/j.bmc.2008.10.087 | Heat shock protein HSP 90-beta | 1 |
| 21513293 | 10.1021/np200062x | MCF7 | 1 |
| 21513293 | 10.1021/np200062x | NCI-H460 | 1 |
| 21513293 | 10.1021/np200062x | SF-268 | 1 |
| 21513293 | 10.1021/np200062x | HT-29 | 1 |
| 21513293 | 10.1021/np200062x | MDA-MB-435 | 1 |
| 27311894 | 10.1016/j.bmcl.2016.06.007 | Vero | 1 |
Data from ChEMBL 36 via Core Engine