Compound Detail
CHEMBL1819481
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Basic Information
| ChEMBL ID | CHEMBL1819481 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LQEGRURRXZMGOB-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
7
Publications
0
Known Names
Molecular Properties
458.7
MW (Da)
7.82
ALogP
3
HBA
1
HBD
55.8
PSA (Ų)
0.31
QED
1
Ro5 Violations
14
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1100.0 | nM | 5.96 | Modulation of human PPARgamma-LBD expressed in african green monkey COS7 cells c... | 21873070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21873070 | 10.1016/j.bmc.2011.08.003 | Peroxisome proliferator-activated receptor gamma | 2 |
| 21873070 | 10.1016/j.bmc.2011.08.003 | Unchecked | 2 |
| 21873070 | 10.1016/j.bmc.2011.08.003 | CHO | 1 |
| 21873070 | 10.1016/j.bmc.2011.08.003 | Peroxisome proliferator-activated receptor alpha | 1 |
| 21873070 | 10.1016/j.bmc.2011.08.003 | Peroxisome proliferator-activated receptor delta | 1 |
| 21873070 | 10.1016/j.bmc.2011.08.003 | Prostaglandin G/H synthase 1 | 1 |
| 21873070 | 10.1016/j.bmc.2011.08.003 | Prostaglandin G/H synthase 2 | 1 |
Data from ChEMBL 36 via Core Engine