Compound Detail
CHEMBL4448458
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Basic Information
| ChEMBL ID | CHEMBL4448458 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HSCMOYWBSISPDI-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
412.3
MW (Da)
5.34
ALogP
3
HBA
2
HBD
58.6
PSA (Ų)
0.55
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.01 | 6.01 | 970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 970.0 | nM | 6.01 | Agonist activity at human PPARalpha expressed in nonhuman mammalian cells assess... | 32096640 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 32096640 | 10.1021/acs.jmedchem.9b01189 | Peroxisome proliferator-activated receptor alpha | 3 |
Data from ChEMBL 36 via Core Engine