Compound Detail
CHEMBL2158960
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CCCOc1ccc(C[C@@H](CC2CCCCC2)C(=O)O)cc1CNC(=O)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1
Basic Information
| ChEMBL ID | CHEMBL2158960 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNLONEWDPBDYQU-PNXYMTDXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
571.8
MW (Da)
8.09
ALogP
3
HBA
2
HBD
75.6
PSA (Ų)
0.27
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.92 | 7.92 | 12.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 12.0 | nM | 7.92 | Transactivation of human PPARgamma expressed in human HEK293 cells after 16 to 2... | 23022278 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23022278 | 10.1016/j.bmc.2012.08.061 | Peroxisome proliferator-activated receptor gamma | 2 |
| 23022278 | 10.1016/j.bmc.2012.08.061 | PPAR delta/gamma | 1 |
| 23022278 | 10.1016/j.bmc.2012.08.061 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine