Compound Detail
CHEMBL5085903
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Basic Information
| ChEMBL ID | CHEMBL5085903 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VVMVYBJXHHXSSH-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
463.5
MW (Da)
4.15
ALogP
6
HBA
1
HBD
86.3
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 7.42 | 7.42 | 38.1 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.1 | 7.1 | 80.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.69 | 5.69 | 2023.7 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 38.1 | nM | 7.42 | Agonist activity at PPARdelta (unknown origin) | 35060744 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 80.0 | nM | 7.1 | Agonist activity at PPARalpha (unknown origin) | 35060744 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 2023.7 | nM | 5.69 | 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 | 2 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor delta | 2 |
| 35060744 | 10.1021/acs.jmedchem.1c02002 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine