Compound Detail
CHEMBL1702665
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COC(=O)C12OCC34C(CC5C(C)=C(O)C(=O)CC5(C)C3C(O)C1O)OC(=O)C(OC(=O)C=C(C)C)C24
Basic Information
| ChEMBL ID | CHEMBL1702665 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZZZYHIMVKOHVIH-UHFFFAOYSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
520.5
MW (Da)
0.52
ALogP
11
HBA
3
HBD
165.9
PSA (Ų)
0.27
QED
2
Ro5 Violations
3
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 7.65
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| COUP transcription factor 2 CHEMBL1961790 | IC50 | 7.65 | 7.65 | 22.3 | 1 |
| Protein skinhead-1 CHEMBL2146298 | IC50 | 4.45 | 4.375 | 35700.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| COUP transcription factor 2 | IC50 | = | 22.34 | nM | 7.65 | PubChem BioAssay. Luminescence-based cell-based high throughput dose response as... | - |
| Protein skinhead-1 | IC50 | = | 35700.0 | nM | 4.45 | PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluore... | - |
| Protein skinhead-1 | IC50 | = | 49880.0 | nM | 4.3 | PubChem BioAssay. Dose ResponseConfirmation of SKN-1 Inhibitor hits in a fluores... | - |
Data from ChEMBL 36 via Core Engine