Compound Detail
CHEMBL346415
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O=C(O)[C@H](Cc1ccc(OCc2ccccc2)cc1)/N=C1\CCCC\C1=C(\O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL346415 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JLWWXYDVCIDOCP-ONNODYOZSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
455.6
MW (Da)
6.25
ALogP
4
HBA
2
HBD
79.1
PSA (Ų)
0.39
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.99
Ki 1 meas. best 6.1
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 6.1 | 6.1 | 794.3 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.99 | 4.99 | 10232.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 794.33 | nM | 6.1 | In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 10232.93 | nM | 4.99 | Activation of peroxisome proliferator activated receptor gamma measured by induc... | 9836620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836620 | 10.1021/jm9804127 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine