Compound Detail
CHEMBL4286980
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Basic Information
| ChEMBL ID | CHEMBL4286980 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTVRJNNFXVMASB-BHWOMJMDSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
373.4
MW (Da)
2.70
ALogP
6
HBA
2
HBD
84.9
PSA (Ų)
0.78
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.76
IC50 1 meas. best 4.11
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.76 | 5.76 | 1720.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 4.11 | 4.11 | 78450.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 1720.0 | nM | 5.76 | Transactivation of GAL4-DBD fused human PPARgamma ligand binding domain expresse... | 30429097 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 78450.0 | nM | 4.11 | Competitive displacement of fluorescently labelled PPAR tracer ligand from GST-t... | 30429097 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30429097 | 10.1016/j.bmc.2018.10.033 | Peroxisome proliferator-activated receptor gamma | 2 |
| 30429097 | 10.1016/j.bmc.2018.10.033 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine