Compound Detail
CHEMBL5271377
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CC/C=C\C/C=C\C/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCCCCCCCCCC)CO[C@@H]1O[C@H](CO[C@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1O
Basic Information
| ChEMBL ID | CHEMBL5271377 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WVWINZZVFAFVMJ-GDVDIDQFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
915.2
MW (Da)
6.15
ALogP
15
HBA
7
HBD
231.1
PSA (Ų)
0.02
QED
4
Ro5 Violations
37
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 4.81
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Fatty acid synthase CHEMBL1795136 | IC50 | 4.81 | 4.81 | 15600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Fatty acid synthase | IC50 | = | 15600.0 | nM | 4.81 | Inhibition of Fatty acid synthase in chicken liver using [3H]-acetyl CoA as subs... | 29126728 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29126728 | 10.1016/j.ejmech.2017.10.015 | Fatty acid synthase | 1 |
Data from ChEMBL 36 via Core Engine