Compound Detail
CHEMBL13353
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CCCCS/C=C1\C(=O)O[C@H](COC)[C@@]2(C)C1=C(O)C(=O)C1=C2[C@H](OC(C)=O)C[C@]2(C)C(=O)CC[C@@H]12
Basic Information
| ChEMBL ID | CHEMBL13353 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UZHNBTBRCNVJHO-FTXHCMNMSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
3.99
ALogP
9
HBA
1
HBD
116.2
PSA (Ų)
0.30
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.28 | 7.28 | 52.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 52.0 | nM | 7.28 | 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