Compound Detail
CHEMBL1813012
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Basic Information
| ChEMBL ID | CHEMBL1813012 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFQGNTDOAIPHRN-QHCPKHFHSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
477.6
MW (Da)
6.03
ALogP
6
HBA
1
HBD
81.8
PSA (Ų)
0.28
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.35
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.35 | 8.35 | 4.5 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 7.66 | 7.66 | 22.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 4.5 | nM | 8.35 | Transactivation of human PPARgamma expressed in human HepG2 cells co-transfected... | 21450468 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 22.0 | nM | 7.66 | 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 | 1 |
| 21450468 | 10.1016/j.bmcl.2011.03.020 | Peroxisome proliferator-activated receptor gamma | 1 |
| 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