Compound Detail
CHEMBL3317859
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCOc1ccc(C[C@@H](Cc2ccccc2)C(=O)O)cc1CNC(=O)c1ccc(N2CCCCCC2)cc1
Basic Information
| ChEMBL ID | CHEMBL3317859 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MYAQZDUYOUGKCB-MUUNZHRXSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
528.7
MW (Da)
6.27
ALogP
4
HBA
2
HBD
78.9
PSA (Ų)
0.29
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.17
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.17 | 8.17 | 6.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 6.7 | nM | 8.17 | Agonist activity at human PPARgamma | 25017035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25017035 | 10.1016/j.bmcl.2014.06.023 | Peroxisome proliferator-activated receptor gamma | 2 |
| 25017035 | 10.1016/j.bmcl.2014.06.023 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine