Compound Detail
CHEMBL5078556
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Basic Information
| ChEMBL ID | CHEMBL5078556 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LKTOCSUOSMHIHM-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
2
PK Parameters
6
Publications
0
Known Names
Molecular Properties
449.4
MW (Da)
3.96
ALogP
6
HBA
1
HBD
86.3
PSA (Ų)
0.62
QED
0
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 8.77
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 8.77 | 8.77 | 1.7 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.59 | 7.59 | 25.9 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.84 | 5.84 | 1428.5 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 3.6 | mL.min-1.kg-1 | Homo sapiens |
| T1/2 | 2.0 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1.7 | nM | 8.77 | Agonist activity at PPARdelta (unknown origin) | 35060744 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 25.9 | nM | 7.59 | Agonist activity at PPARalpha (unknown origin) | 35060744 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1428.5 | nM | 5.84 | Agonist activity at PPARgamma (unknown origin) | 35060744 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor alpha | 3 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor delta | 3 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor gamma | 2 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | ADMET | 2 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | PPAR delta/gamma | 1 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine