Compound Detail
CHEMBL255034
MAKISTERONE A 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
C[C@H](C[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@@H]4C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3CC[C@]12C)C(C)(C)O
Basic Information
| ChEMBL ID | CHEMBL255034 |
| Name | MAKISTERONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IJRBORPEVKCEQD-JMQWOFAPSA-N |
5
Targets
5
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
494.7
MW (Da)
2.10
ALogP
7
HBA
6
HBD
138.4
PSA (Ų)
0.34
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 5 meas. best 6.95
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ecdysone receptor CHEMBL5676 | IC50 | 6.95 | 6.95 | 112.2 | 1 |
| Ecdysone receptor CHEMBL2366588 | IC50 | 6.41 | 6.41 | 389.1 | 1 |
| Ecdysone receptor CHEMBL2366581 | IC50 | 5.86 | 5.86 | 1380.4 | 1 |
| Ecdysone receptor CHEMBL2366589 | IC50 | 5.86 | 5.86 | 1380.4 | 1 |
| Ecdysone receptor CHEMBL2366583 | IC50 | 5.76 | 5.76 | 1737.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ecdysone receptor | IC50 | = | 112.2 | nM | 6.95 | Binding affinity to ecdysone receptor ligand binding domain in Drosophila melano... | 19631551 |
| Ecdysone receptor | IC50 | = | 389.05 | nM | 6.41 | Binding affinity to Spodoptera frugiperda (fall armyworm) EcR | 21594962 |
| Ecdysone receptor | IC50 | = | 1380.38 | nM | 5.86 | Binding affinity to Nezara viridula EcR | 21594962 |
| Ecdysone receptor | IC50 | = | 1380.38 | nM | 5.86 | Binding affinity to Drosophila melanogaster EcR | 21594962 |
| Ecdysone receptor | IC50 | = | 1737.8 | nM | 5.76 | Binding affinity to Leptinotarsa decemlineata EcR | 21594962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21594962 | 10.1002/ps.2200 | Ecdysone receptor | 4 |
| 17994701 | 10.1021/np0704248 | Cytochrome P450 3A4 | 1 |
| 19631551 | 10.1016/j.bmc.2009.07.011 | Ecdysone receptor | 1 |
| 37530540 | 10.1021/acs.jnatprod.3c00371 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine