Compound Detail
CHEMBL5076771
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Basic Information
| ChEMBL ID | CHEMBL5076771 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HHJIVXLBOQLAPG-LFYBBSHMSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
8
Publications
0
Known Names
Molecular Properties
432.5
MW (Da)
5.87
ALogP
4
HBA
1
HBD
53.4
PSA (Ų)
0.50
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 6.7 | 6.7 | 199.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.02 | 6.02 | 947.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.61 | 4.61 | 24700.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | EC50 | = | 199.0 | nM | 6.7 | Agonist activity at human PPARdelta transfected in COS-7 cells assessed lucifera... | 33988379 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 947.0 | nM | 6.02 | Agonist activity at human PPARalpha transfected in COS-7 cells assessed lucifera... | 33988379 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 24700.0 | nM | 4.61 | Agonist activity at human PPARgamma transfected in COS-7 cells assessed lucifera... | 33988379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33988379 | 10.1021/acs.jmedchem.1c00560 | Mesenchymal stem cells | 8 |
| 33988379 | 10.1021/acs.jmedchem.1c00560 | Mus musculus | 3 |
| 33988379 | 10.1021/acs.jmedchem.1c00560 | ADMET | 3 |
| 33988379 | 10.1021/acs.jmedchem.1c00560 | Peroxisome proliferator-activated receptor alpha | 2 |
| 33988379 | 10.1021/acs.jmedchem.1c00560 | Peroxisome proliferator-activated receptor delta | 2 |
| 33988379 | 10.1021/acs.jmedchem.1c00560 | Peroxisome proliferator-activated receptor gamma | 2 |
| 33988379 | 10.1021/acs.jmedchem.1c00560 | No relevant target | 1 |
| 33988379 | 10.1021/acs.jmedchem.1c00560 | PPAR delta/gamma | 1 |
Data from ChEMBL 36 via Core Engine