Compound Detail
CHEMBL507663
CHINENSIOLIDE E Enter ChEMBL ID:
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C=C1[C@@H]2[C@H]3OC(=O)C(=C)[C@@H]3CC[C@@](C)(O)[C@@H]2C[C@@H]1O[C@@H]1O[C@H](COC(=O)Cc2ccc(O)cc2)[C@@H](O)[C@H](O)[C@H]1OC(=O)Cc1ccc(O)cc1
Basic Information
| ChEMBL ID | CHEMBL507663 |
| Name | CHINENSIOLIDE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GDSPNUSHQQYFSK-MCOQXLJUSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
694.7
MW (Da)
2.00
ALogP
13
HBA
5
HBD
198.5
PSA (Ų)
0.11
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 6.14
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| WI-38 VA13 CHEMBL612807 | IC50 | 6.14 | 6.14 | 720.0 | 1 |
| WI-38 CHEMBL614391 | IC50 | 4.64 | 4.64 | 23000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| WI-38 VA13 | IC50 | = | 720.0 | nM | 6.14 | Cytotoxicity against human VA13 cells | 17067155 |
| WI-38 | IC50 | = | 23000.0 | nM | 4.64 | Cytotoxicity against human WI38 cells | 17067155 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17067155 | 10.1021/np068015j | A549 | 6 |
| 17067155 | 10.1021/np068015j | WI-38 | 1 |
| 17067155 | 10.1021/np068015j | WI-38 VA13 | 1 |
| 17067155 | 10.1021/np068015j | NON-PROTEIN TARGET | 1 |
Data from ChEMBL 36 via Core Engine