Compound Detail
CHEMBL359333
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Cc1ccc(NC(Cc2ccc(OCCN(C)c3nc4ccccc4o3)cc2)C(=O)O)c(C(=O)c2ccccc2)c1
Basic Information
| ChEMBL ID | CHEMBL359333 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CLDWIYLTZCNVHQ-UHFFFAOYSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
549.6
MW (Da)
5.99
ALogP
7
HBA
2
HBD
104.9
PSA (Ų)
0.18
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.2
Ki 1 meas. best 7.87
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 7.87 | 7.87 | 13.5 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.2 | 6.92 | 63.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 13.49 | nM | 7.87 | Binding affinity against peroxisome proliferator activated receptor gamma (PPAR-... | 9836622 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 63.1 | nM | 7.2 | -log concentration required to induce 50% maximum lipogenic activity against Per... | 9836622 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 229.09 | nM | 6.64 | in vitro agonist activity against peroxisome proliferator activated receptor-gam... | 9836622 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836622 | 10.1021/jm980414r | Peroxisome proliferator-activated receptor gamma | 3 |
Data from ChEMBL 36 via Core Engine