Compound Detail
CHEMBL401811
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Basic Information
| ChEMBL ID | CHEMBL401811 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VHJXSWUPBIHUER-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
5
Publications
0
Known Names
Molecular Properties
345.4
MW (Da)
4.63
ALogP
4
HBA
1
HBD
72.6
PSA (Ų)
0.64
QED
0
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.52 | 6.52 | 300.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 4.52 | 4.52 | 30000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 300.0 | nM | 6.52 | Agonist activity at human PPARalpha expressed in monkey CV1 cells by transactiva... | 18280733 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 300.0 | nM | 6.52 | Agonist activity at human PPARgamma expressed in monkey CV1 cells by transactiva... | 18280733 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 30000.0 | nM | 4.52 | Agonist activity at human PPARdelta expressed in monkey CV1 cells by transactiva... | 18280733 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18280733 | 10.1016/j.bmcl.2008.01.086 | Mus musculus | 1 |
| 18280733 | 10.1016/j.bmcl.2008.01.086 | Unchecked | 1 |
| 18280733 | 10.1016/j.bmcl.2008.01.086 | Peroxisome proliferator-activated receptor alpha | 1 |
| 18280733 | 10.1016/j.bmcl.2008.01.086 | Peroxisome proliferator-activated receptor gamma | 1 |
| 18280733 | 10.1016/j.bmcl.2008.01.086 | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine