Compound Detail
CHEMBL481550
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Basic Information
| ChEMBL ID | CHEMBL481550 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HZYBYFSJVXEDOK-GNVQSUKOSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
448.6
MW (Da)
6.35
ALogP
5
HBA
1
HBD
84.9
PSA (Ų)
0.19
QED
1
Ro5 Violations
13
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 9.0 | 9.0 | 1.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 7.0 | 7.0 | 100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1.0 | nM | 9.0 | Agonist activity at human PPARalpha transactivation expressed in human HePG2 cel... | 18976908 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 100.0 | nM | 7.0 | Agonist activity at human PPARgamma transactivation expressed in human HePG2 cel... | 18976908 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18976908 | 10.1016/j.bmcl.2008.10.062 | Peroxisome proliferator-activated receptor delta | 1 |
| 18976908 | 10.1016/j.bmcl.2008.10.062 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18976908 | 10.1016/j.bmcl.2008.10.062 | Peroxisome proliferator-activated receptor gamma | 1 |
| 18976908 | 10.1016/j.bmcl.2008.10.062 | Unchecked | 1 |
Data from ChEMBL 36 via Core Engine