Compound Detail
CHEMBL205434
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Basic Information
| ChEMBL ID | CHEMBL205434 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AKPCUYWXGDJENF-NYYWCZLTSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
418.4
MW (Da)
5.85
ALogP
4
HBA
2
HBD
62.2
PSA (Ų)
0.49
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 7.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Free fatty acid receptor 1 CHEMBL4422 | EC50 | 7.44 | 7.44 | 36.3 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.91 | 5.91 | 1220.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.28 | 5.28 | 5280.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.22 | 5.22 | 6010.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Free fatty acid receptor 1 | EC50 | = | 36.31 | nM | 7.44 | Agonist potency at human GPR40 expressed in CHO cells | 16439116 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 1220.0 | nM | 5.91 | Agonist activity at human PPARdelta transfected in COS-7 cells assessed lucifera... | 33988379 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 5280.0 | nM | 5.28 | Agonist activity at human PPARgamma transfected in COS-7 cells assessed lucifera... | 33988379 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 6010.0 | nM | 5.22 | Agonist activity at human PPARalpha transfected in COS-7 cells assessed lucifera... | 33988379 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33988379 | 10.1021/acs.jmedchem.1c00560 | Mesenchymal stem cells | 6 |
| 16439116 | 10.1016/j.bmcl.2006.01.007 | Free fatty acid receptor 1 | 2 |
| 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 | PPAR delta/gamma | 1 |
Data from ChEMBL 36 via Core Engine