Compound Detail
CHEMBL117796
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Basic Information
| ChEMBL ID | CHEMBL117796 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NTIDCRDXZDIPPW-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
413.5
MW (Da)
3.01
ALogP
7
HBA
1
HBD
83.1
PSA (Ų)
0.38
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.77 | 6.77 | 170.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.5 | 5.5 | 3160.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.5 | 5.5 | 3160.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 170.0 | nM | 6.77 | In vitro transcription activation on human peroxisome proliferator activated rec... | 15177462 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3160.0 | nM | 5.5 | In vitro transcription activation on human peroxisome proliferator activated rec... | 15177462 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 3160.0 | nM | 5.5 | In vitro transcription activation on human peroxisome proliferator activated rec... | 15177462 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15177462 | 10.1016/j.bmcl.2004.04.053 | Peroxisome proliferator-activated receptor alpha | 2 |
| 15177462 | 10.1016/j.bmcl.2004.04.053 | Peroxisome proliferator-activated receptor gamma | 2 |
| 15177462 | 10.1016/j.bmcl.2004.04.053 | Peroxisome proliferator-activated receptor delta | 2 |
Data from ChEMBL 36 via Core Engine