Compound Detail
CHEMBL3678117
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Cc1c(C)n(Cc2cccc(O[C@@H](C)C(=O)O)c2)c2ccc(C(=O)N[C@@H](C)c3ccc(C(C)(C)C)cc3)cc12
Basic Information
| ChEMBL ID | CHEMBL3678117 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ROQFGMFKGGEJAT-GMAHTHKFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
526.7
MW (Da)
6.95
ALogP
4
HBA
2
HBD
80.6
PSA (Ų)
0.26
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 7.22 | 6.835 | 60.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 60.0 | nM | 7.22 | Lanthascreen Competitive Binding Assay: The assay was performed according to man... | - |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 358.0 | nM | 6.45 | Lanthascreen Competitive Binding Assay: The assay was performed according to man... | - |
Data from ChEMBL 36 via Core Engine