Compound Detail
CHEMBL4205070
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CO[C@H](C)O[C@H]1[C@@H]2[C@@H](C)[C@@H](O)C[C@H](O)[C@@]2(C)[C@@H](O)[C@H](OC(C)=O)C2=C(C)[C@@H](OC(C)=O)C[C@]1(O)C2(C)C
Basic Information
| ChEMBL ID | CHEMBL4205070 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | COEADASEFNUEQJ-WBRSTNQWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.6
MW (Da)
1.46
ALogP
10
HBA
4
HBD
152.0
PSA (Ų)
0.23
QED
1
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.01 | 4.01 | 97500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 97500.0 | nM | 4.01 | Inhibition of Saccharomyces cerevisiae alpha-glucosidase using p-nitrophenyl-alp... | 28240909 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28240909 | 10.1021/acs.jnatprod.7b00006 | Unchecked | 1 |
| 28240909 | 10.1021/acs.jnatprod.7b00006 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine