Compound Detail
CHEMBL516824
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Cc1cc(CNC(=O)c2cc(-c3ccc(C(C)(C)C)cc3)[nH]n2)ccc1OC(C)(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL516824 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IFNFZYFWAKNNLC-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.6
MW (Da)
4.85
ALogP
4
HBA
3
HBD
104.3
PSA (Ų)
0.48
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.57 | 6.57 | 270.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.42 | 6.42 | 383.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 270.0 | nM | 6.57 | Agonist activity at human PPARgamma receptor by cell based transient transfectio... | 18947994 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 383.0 | nM | 6.42 | Agonist activity at human PPARalpha receptor by cell based transient transfectio... | 18947994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18947994 | 10.1016/j.bmcl.2008.09.094 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18947994 | 10.1016/j.bmcl.2008.09.094 | Peroxisome proliferator-activated receptor delta | 1 |
| 18947994 | 10.1016/j.bmcl.2008.09.094 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine