Compound Detail
CHEMBL5270095
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COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2C[C@@H](Br)C(OC(C)=O)[C@@]2(C)C[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL5270095 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | SBDKRDXBUNVRFV-ZJMSKHNPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.4
MW (Da)
3.27
ALogP
9
HBA
0
HBD
118.3
PSA (Ų)
0.32
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 CHEMBL1075165 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Phosphatidylinositol 3-kinase catalytic subunit type 3 | IC50 | = | 77.0 | nM | 7.11 | Inhibition of VPS34 (unknown origin) | 36283182 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36283182 | 10.1016/j.ejmech.2022.114846 | Phosphatidylinositol 3-kinase catalytic subunit type 3 | 1 |
Data from ChEMBL 36 via Core Engine