Compound Detail
CHEMBL2011544
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Basic Information
| ChEMBL ID | CHEMBL2011544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OCUXKVCDBHKIIP-QYHQRLDKSA-N |
4
Targets
4
Activities
1
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
221.3
MW (Da)
3.23
ALogP
1
HBA
1
HBD
29.1
PSA (Ų)
0.30
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 5.7
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | EC50 | 5.7 | 5.7 | 2000.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.44 | 5.44 | 3600.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.4 | 5.4 | 4000.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | EC50 | 5.31 | 5.31 | 4900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | EC50 | = | 2000.0 | nM | 5.7 | Transactivation of PPAR expressed in HepG2 cells after 20 hrs by luminescence as... | 22381047 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3600.0 | nM | 5.44 | Transactivation of GAL4-fused PPARgamma LBD expressed in HepG2 cells after 20 hr... | 22381047 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 4000.0 | nM | 5.4 | Transactivation of GAL4-fused PPARalpha LBD expressed in HepG2 cells after 20 hr... | 22381047 |
| Peroxisome proliferator-activated receptor delta | EC50 | = | 4900.0 | nM | 5.31 | Transactivation of GAL4-fused PPARbeta LBD expressed in HepG2 cells after 20 hrs... | 22381047 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37355024 | 10.1016/j.bmcl.2023.129386 | Unchecked | 9 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Unchecked | 2 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Peroxisome proliferator-activated receptor alpha | 2 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Peroxisome proliferator-activated receptor gamma | 1 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | Peroxisome proliferator-activated receptor delta | 1 |
| 22381047 | 10.1016/j.bmcl.2012.01.136 | HepG2 | 1 |
Data from ChEMBL 36 via Core Engine