Compound Detail
CHEMBL1760559
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Basic Information
| ChEMBL ID | CHEMBL1760559 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KIOTXDQBVLNGIE-FOCLMDBBSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
440.5
MW (Da)
5.45
ALogP
5
HBA
1
HBD
81.4
PSA (Ų)
0.39
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.89 | 6.89 | 130.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.62 | 5.62 | 2400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 130.0 | nM | 6.89 | Partial agonist activity at human PPARgamma expressed in CHO cells co-transfecte... | 21377875 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 2400.0 | nM | 5.62 | Partial agonist activity at human PPARalpha expressed in CHO cells co-transfecte... | 21377875 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21377875 | 10.1016/j.bmcl.2011.02.032 | Peroxisome proliferator-activated receptor alpha | 4 |
| 21377875 | 10.1016/j.bmcl.2011.02.032 | Peroxisome proliferator-activated receptor gamma | 2 |
| 21377875 | 10.1016/j.bmcl.2011.02.032 | Unchecked | 2 |
Data from ChEMBL 36 via Core Engine