Compound Detail
CHEMBL146614
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
CN(CCOc1ccc(CC(NCc2ccccc2C(=O)c2ccccc2)C(=O)O)cc1)c1nc2ccccc2o1
Basic Information
| ChEMBL ID | CHEMBL146614 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IQDMENHHEMPWSG-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
5.36
ALogP
7
HBA
2
HBD
104.9
PSA (Ų)
0.19
QED
2
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.78
Ki 1 meas. best 7.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 7.55 | 7.55 | 28.2 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.78 | 6.4 | 166.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 28.18 | nM | 7.55 | In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 165.96 | nM | 6.78 | Activation of peroxisome proliferator activated receptor gamma measured by induc... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 954.99 | nM | 6.02 | Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using l... | 9836620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836620 | 10.1021/jm9804127 | Peroxisome proliferator-activated receptor gamma | 3 |
Data from ChEMBL 36 via Core Engine