Compound Detail
CHEMBL4580572
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CC(C)(Oc1ccc(CCOc2ccc(/N=N/c3ccc([N+](=O)[O-])cc3)cc2)cc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4580572 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JEBQLORHISIOSU-OCEACIFDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
449.5
MW (Da)
5.87
ALogP
7
HBA
1
HBD
123.6
PSA (Ų)
0.23
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.39
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.39 | 5.39 | 4100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 4100.0 | nM | 5.39 | Transactivation of GAL4-tagged human PPARdelta LBD expressed in human HepG2 cell... | 30996794 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30996794 | 10.1021/acsmedchemlett.8b00574 | Peroxisome proliferator-activated receptor gamma | 2 |
| 30996794 | 10.1021/acsmedchemlett.8b00574 | Peroxisome proliferator-activated receptor alpha | 2 |
| 30996794 | 10.1021/acsmedchemlett.8b00574 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine