Compound Detail
CHEMBL2375947
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Basic Information
| ChEMBL ID | CHEMBL2375947 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KDRFONXTXKLKBO-INIZCTEOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
304.8
MW (Da)
4.19
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.83
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.23
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.23 | 6.23 | 588.8 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.04 | 6.04 | 912.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 588.84 | nM | 6.23 | Agonist activity at GAL4-fused PPARalpha (unknown origin) expressed in human Hep... | 23502212 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 912.01 | nM | 6.04 | Agonist activity at GAL4-fused PPARgamma (unknown origin) expressed in human Hep... | 23502212 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23502212 | 10.1016/j.ejmech.2013.02.015 | Peroxisome proliferator-activated receptor gamma | 1 |
| 23502212 | 10.1016/j.ejmech.2013.02.015 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine