Compound Detail
CHEMBL513035
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Cc1cc(CNC(=O)c2cc(-c3ccc(N4CCCC4)cc3)n(C)n2)ccc1OC(C)(C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL513035 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JPQLNXQUXRQYHE-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
476.6
MW (Da)
4.17
ALogP
6
HBA
2
HBD
96.7
PSA (Ų)
0.51
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 8.1 | 8.1 | 8.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.7 | 7.7 | 20.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.97 | 5.97 | 1060.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 8.0 | nM | 8.1 | Agonist activity at human PPARalpha receptor by cell based transient transfectio... | 18947994 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 20.0 | nM | 7.7 | Agonist activity at human PPARgamma receptor by cell based transient transfectio... | 18947994 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1060.0 | nM | 5.97 | Agonist activity at human PPARdelta receptor by cell based transient transfectio... | 18947994 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18947994 | 10.1016/j.bmcl.2008.09.094 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18947994 | 10.1016/j.bmcl.2008.09.094 | Peroxisome proliferator-activated receptor delta | 1 |
| 18947994 | 10.1016/j.bmcl.2008.09.094 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine