Compound Detail
CHEMBL13430
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COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2C[C@@H](O)C(=O)[C@@]2(C)C[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL13430 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ISWWISQJUFRUTJ-LWRFUUJJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
444.4
MW (Da)
1.51
ALogP
9
HBA
1
HBD
129.3
PSA (Ų)
0.69
QED
0
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 6.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 6.82 | 6.82 | 153.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 153.0 | nM | 6.82 | In vitro inhibitory activity against Phosphatidylinositol 3-Kinase | 8676346 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 8676346 | 10.1021/jm950619p | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine