Compound Detail
CHEMBL2312717
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Basic Information
| ChEMBL ID | CHEMBL2312717 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HKNAFNVQMGGMAT-FQEVSTJZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
386.4
MW (Da)
5.45
ALogP
2
HBA
1
HBD
46.5
PSA (Ų)
0.61
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 22.0 | nM | 7.66 | Transactivation of GAL4-fused human PPARalpha ligand binding domain expressed in... | 23171045 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1000.0 | nM | 6.0 | Transactivation of GAL4-fused human PPARgamma ligand binding domain expressed in... | 23171045 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23171045 | 10.1021/jm301018z | Peroxisome proliferator-activated receptor gamma | 2 |
| 23171045 | 10.1021/jm301018z | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine