Compound Detail
CHEMBL289752
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CC[C@@H](C)CC[C@H](O)[C@H](C)C(=O)C[C@@H](O)[C@H](OC)[C@H](OC(=O)C[C@@H](O)C1=C(C)C(=O)OC1=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL289752 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPICEIQQXKHYDC-QQHFIIDDSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
514.6
MW (Da)
1.86
ALogP
10
HBA
3
HBD
156.7
PSA (Ų)
0.21
QED
1
Ro5 Violations
16
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 4.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 4.0 | 4.0 | 100000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 100000.0 | nM | 4.0 | Inhibition of protein phosphatase 2A (PP2A) was determined by standard phosphory... | 12699764 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12699764 | 10.1016/s0960-894x(03)00106-9 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine