Compound Detail
CHEMBL3585576
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CC[C@H](OC(=O)N(Cc1ccccc1)C(=O)Nc1cc(OC)cc(OC)c1)c1cc(-c2ccc(OC(C)(C)C(=O)O)cc2)no1
Basic Information
| ChEMBL ID | CHEMBL3585576 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WSCPDRVLOQMVLP-NDEPHWFRSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
617.7
MW (Da)
6.92
ALogP
9
HBA
2
HBD
149.7
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.74
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.74 | 6.74 | 183.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 183.0 | nM | 6.74 | Activity at PPARgamma (unknown origin) assessed as transactivation activity by r... | 25734377 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 183.0 | nM | 6.74 | Transactivation of PPARgamma (unknown origin) | 31112893 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25734377 | 10.1021/jm501155f | Peroxisome proliferator-activated receptor gamma | 2 |
| 31112893 | 10.1016/j.ejmech.2019.05.012 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine