Compound Detail
CHEMBL3115238
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CCCc1[nH]c2cc(C(=O)NC(CC)c3ccccc3)ccc2c1Cc1ccc(-c2ccccc2C(=O)O)cc1
Basic Information
| ChEMBL ID | CHEMBL3115238 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSCMQESHVHEFHC-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
530.7
MW (Da)
7.96
ALogP
2
HBA
3
HBD
82.2
PSA (Ų)
0.17
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 8.05 | 8.05 | 9.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL2128 | EC50 | 6.1 | 6.1 | 790.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 6.0 | nM | 8.22 | Agonist activity at human PPARgamma expressed in CV-1 cells by reporter gene ass... | 24462665 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 9.0 | nM | 8.05 | Agonist activity at mouse PPARgamma expressed in CV-1 cells by reporter gene ass... | 24462665 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 790.0 | nM | 6.1 | 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