Compound Detail
CHEMBL5406915
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CC(C)(Oc1c(Br)cc(CN2C(=O)CN(c3ccc(C(F)(F)F)cc3)C2=O)cc1Br)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL5406915 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OFUSDBKUMIIORB-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
594.2
MW (Da)
5.44
ALogP
4
HBA
1
HBD
87.2
PSA (Ų)
0.45
QED
2
Ro5 Violations
6
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.66 | 8.66 | 2.2 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.63 | 7.63 | 23.6 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.55 | 5.55 | 2786.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2.2 | nM | 8.66 | Agonist activity at human PPARalpha transfected in african green monkey COS7 cel... | 37243609 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 23.6 | nM | 7.63 | Agonist activity at human PPARdelta transfected in african green monkey COS7 cel... | 37243609 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2786.0 | nM | 5.55 | Agonist activity at human PPARgamma transfected in african green monkey COS7 cel... | 37243609 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37243609 | 10.1021/acs.jmedchem.2c02123 | Peroxisome proliferator-activated receptor alpha | 2 |
| 37243609 | 10.1021/acs.jmedchem.2c02123 | Peroxisome proliferator-activated receptor delta | 2 |
| 37243609 | 10.1021/acs.jmedchem.2c02123 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine