Compound Detail
CHEMBL5284791
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COC(=O)/C(=C\c1cc(OC)cc(OC)c1)c1ccc(Oc2ccc(CC3SC(=O)NC3=O)cc2)cc1
Basic Information
| ChEMBL ID | CHEMBL5284791 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IVAQJHSXBVHUQT-OYKKKHCWSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
519.6
MW (Da)
5.10
ALogP
8
HBA
1
HBD
100.2
PSA (Ų)
0.24
QED
2
Ro5 Violations
9
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.55 | 6.55 | 284.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 284.0 | nM | 6.55 | Agonist activity at human PPARgamma transfected in HEK293 cells assessed increas... | 28231521 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28231521 | 10.1016/j.ejmech.2017.02.031 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine