Compound Detail
CHEMBL3678163
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COc1ccc(Cn2c(C)c(C)c3cc(C(=O)N[C@@H](C)c4cccc(C(C)C)c4)ccc32)cc1O[C@@H](C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3678163 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RNMNXSJKLFRDSO-GMAHTHKFSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
542.7
MW (Da)
6.78
ALogP
5
HBA
2
HBD
89.8
PSA (Ų)
0.23
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 7.11 | 7.11 | 77.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 77.0 | nM | 7.11 | Lanthascreen Competitive Binding Assay: The assay was performed according to man... | - |
Data from ChEMBL 36 via Core Engine