Compound Detail
CHEMBL3115237
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CCCc1c(Cc2ccc(-c3ccccc3C(=O)O)cc2)c2ccc(C(=O)NC(CC)c3ccccc3)cc2n1C
Basic Information
| ChEMBL ID | CHEMBL3115237 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KEDCDYJNIWOZOY-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
544.7
MW (Da)
7.97
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.7 | 8.7 | 2.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2.0 | nM | 8.7 | Agonist activity at human PPARgamma expressed in CV-1 cells by reporter gene ass... | 24462665 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3.0 | nM | 8.52 | Agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene ass... | 24462665 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 170.0 | nM | 6.77 | Agonist activity at mouse PPARalpha expressed in CV-1 cells by reporter gene ass... | 24462665 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24462665 | 10.1016/j.bmcl.2014.01.004 | Peroxisome proliferator-activated receptor gamma | 4 |
| 24462665 | 10.1016/j.bmcl.2014.01.004 | Peroxisome proliferator-activated receptor alpha | 2 |
| 24462665 | 10.1016/j.bmcl.2014.01.004 | Type-1 angiotensin II receptor | 1 |
Data from ChEMBL 36 via Core Engine