Compound Detail
CHEMBL40779
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
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)[C@H]1OC(=O)[C@]2(CCC(OC(C)C)O2)C1=O
Basic Information
| ChEMBL ID | CHEMBL40779 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SQSLSRAOGUBPKZ-ZIRBNASXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
512.7
MW (Da)
5.17
ALogP
8
HBA
1
HBD
108.4
PSA (Ų)
0.14
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein phosphatase 1A CHEMBL2437 | IC50 | 5.52 | 5.52 | 3000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein phosphatase 1A | IC50 | = | 3000.0 | nM | 5.52 | Compound was evaluated for inhibitory effect against protein phosphatase I (PP-I... | 10915062 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10915062 | 10.1016/s0960-894x(00)00294-8 | Protein phosphatase 1A | 1 |
| 10915062 | 10.1016/s0960-894x(00)00294-8 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine