Compound Detail
CHEMBL2087139
MURISTERONE 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
CC(C)CC[C@@H](O)[C@](C)(O)[C@H]1CC[C@@]2(O)C3=CC(=O)[C@]4(O)C[C@@H](O)[C@@H](O)C[C@]4(C)[C@H]3[C@H](O)C[C@]12C
Basic Information
| ChEMBL ID | CHEMBL2087139 |
| Name | MURISTERONE A |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRJUYAVTHIEHAI-LHBNDURVSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
496.6
MW (Da)
0.82
ALogP
8
HBA
7
HBD
158.7
PSA (Ų)
0.29
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 6.89
Ki 2 meas. best 7.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Ecdysone receptor CHEMBL2366589 | Ki | 7.0 | 7.0 | 100.0 | 2 |
| Ecdysone receptor CHEMBL2366589 | IC50 | 6.89 | 6.855 | 130.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Ecdysone receptor | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]PonA from recombinant Nezara viridula EcR11 | 21594962 |
| Ecdysone receptor | Ki | = | 100.0 | nM | 7.0 | Displacement of [3H]PonA from recombinant Nezara viridula EcR10 | 21594962 |
| Ecdysone receptor | IC50 | = | 130.0 | nM | 6.89 | Displacement of [3H]PonA from recombinant Nezara viridula EcR10 | 21594962 |
| Ecdysone receptor | IC50 | = | 150.0 | nM | 6.82 | Displacement of [3H]PonA from recombinant Nezara viridula EcR11 | 21594962 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21594962 | 10.1002/ps.2200 | Ecdysone receptor | 4 |
| 22578055 | 10.1021/jm300424n | ATP-dependent translocase ABCB1 | 1 |
Data from ChEMBL 36 via Core Engine