Compound Detail
CHEMBL1813003
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Basic Information
| ChEMBL ID | CHEMBL1813003 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XVMBSQQFBULZPM-KRWDZBQOSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
387.5
MW (Da)
4.32
ALogP
6
HBA
1
HBD
81.8
PSA (Ų)
0.59
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.59
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 10.59 | 10.59 | 0.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 0.026 | nM | 10.59 | Transactivation of human PPARalpha expressed in human HepG2 cells co-transfected... | 21450468 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Peroxisome proliferator-activated receptor alpha | 2 |
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Peroxisome proliferator-activated receptor gamma | 2 |
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Peroxisome proliferator-activated receptor delta | 1 |
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine