Compound Detail
CHEMBL2376812
WIKSTROELIDE E Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
C=C(C)[C@]12C[C@@H](C)[C@@]34O[C@@]5(CCCCCCC[C@@H](C)[C@H]6[C@H](C)C(=O)[C@@](O)([C@H](O)[C@@]7(CO)O[C@H]7[C@H]3[C@H]1O5)[C@@H]64)O2
Basic Information
| ChEMBL ID | CHEMBL2376812 |
| Name | WIKSTROELIDE E |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YTMZOVBDBJZQRD-RSRQXKISSA-N |
9
Targets
9
Activities
1
Assay Types
0
PK Parameters
10
Publications
0
Known Names
Molecular Properties
532.7
MW (Da)
2.86
ALogP
8
HBA
3
HBD
118.0
PSA (Ų)
0.37
QED
1
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 9 meas. best 4.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| HepG2 CHEMBL395 | IC50 | 4.94 | 4.94 | 11370.0 | 1 |
| HT-1080 CHEMBL614580 | IC50 | 4.82 | 4.82 | 15140.0 | 1 |
| HeLa CHEMBL399 | IC50 | 4.77 | 4.77 | 17060.0 | 1 |
| A549 CHEMBL392 | IC50 | 4.71 | 4.71 | 19260.0 | 1 |
| U-937 CHEMBL612794 | IC50 | 4.71 | 4.71 | 19460.0 | 1 |
| HL-60 CHEMBL383 | IC50 | 4.66 | 4.66 | 22110.0 | 1 |
| K562 CHEMBL385 | IC50 | 4.62 | 4.62 | 24040.0 | 1 |
| NON-PROTEIN TARGET CHEMBL3879801 | IC50 | 4.54 | 4.54 | 29030.0 | 1 |
| HCT-116 CHEMBL394 | IC50 | 4.52 | 4.52 | 29930.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| HepG2 | IC50 | = | 11370.0 | nM | 4.94 | Cytotoxicity against human HepG2 cells after 48 hrs by MTT assay | 23558238 |
| HT-1080 | IC50 | = | 15140.0 | nM | 4.82 | Cytotoxicity against human HT1080 cells after 48 hrs by MTT assay | 23558238 |
| HeLa | IC50 | = | 17060.0 | nM | 4.77 | Cytotoxicity against human HeLa cells after 48 hrs by MTT assay | 23558238 |
| U-937 | IC50 | = | 19460.0 | nM | 4.71 | Cytotoxicity against human U937 cells after 48 hrs by MTT assay | 23558238 |
| A549 | IC50 | = | 19260.0 | nM | 4.71 | Cytotoxicity against human A549 cells after 48 hrs by MTT assay | 23558238 |
| HL-60 | IC50 | = | 22110.0 | nM | 4.66 | Cytotoxicity against human HL60 cells after 48 hrs by MTT assay | 23558238 |
| K562 | IC50 | = | 24040.0 | nM | 4.62 | Cytotoxicity against human K562 cells after 48 hrs by MTT assay | 23558238 |
| NON-PROTEIN TARGET | IC50 | = | 29030.0 | nM | 4.54 | Cytotoxicity against human A375-S2 cells after 48 hrs by MTT assay | 23558238 |
| HCT-116 | IC50 | = | 29930.0 | nM | 4.52 | Cytotoxicity against human HCT116 cells after 48 hrs by MTT assay | 23558238 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23558238 | 10.1016/j.bmcl.2013.03.025 | K562 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | U-937 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HL-60 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HT-1080 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | NON-PROTEIN TARGET | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | A549 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HCT-116 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HepG2 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | MCF7 | 1 |
| 23558238 | 10.1016/j.bmcl.2013.03.025 | HeLa | 1 |
Data from ChEMBL 36 via Core Engine