Compound Detail
CHEMBL2288178
STEMPHONE 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=C(\C)[C@@H](OC(C)=O)[C@@H](C)C1=CC(=O)C2=C(O[C@]3(C)CC[C@H]4O[C@@H](C(C)(C)O)CC[C@]4(C)[C@H]3[C@@H]2O)C1=O
Basic Information
| ChEMBL ID | CHEMBL2288178 |
| Name | STEMPHONE |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CGFWCZMBHASRBJ-CCZFOCGKSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
530.7
MW (Da)
3.74
ALogP
8
HBA
2
HBD
119.4
PSA (Ų)
0.31
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.8
Ki 1 meas. best 5.48
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Cytochrome b-245 light chain CHEMBL2366457 | IC50 | 6.8 | 6.8 | 160.0 | 1 |
| Diacylglycerol kinase alpha CHEMBL4105787 | Ki | 5.48 | 5.48 | 3320.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Cytochrome b-245 light chain | IC50 | = | 160.0 | nM | 6.8 | Inhibition of Bos taurus (bovine) heart mitochondrial NADPH oxidase activity ass... | - |
| Diacylglycerol kinase alpha | Ki | = | 3320.0 | nM | 5.48 | Inhibition of DGKalpha in human erythrocytes using OAG as substrate preincubated... | 30611057 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1584/jpestics.21.213 | Cytochrome b-245 light chain | 1 |
| - | 10.1584/jpestics.23.281 | No relevant target | 1 |
| - | 10.1584/jpestics.23.281 | Oryza sativa | 1 |
| - | 10.1584/jpestics.23.281 | Lolium multiflorum | 1 |
| 30611057 | 10.1016/j.ejmech.2018.12.061 | Diacylglycerol kinase alpha | 1 |
Data from ChEMBL 36 via Core Engine