Compound Detail
CHEMBL4250971
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Basic Information
| ChEMBL ID | CHEMBL4250971 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IWXXXGSWHFSSBI-IBGZPJMESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
433.9
MW (Da)
2.28
ALogP
5
HBA
3
HBD
108.0
PSA (Ų)
0.53
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.05 | 5.05 | 8970.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 8970.0 | nM | 5.05 | Agonist activity at PPARgamma in human HepG2 cells assessed as activation of PPR... | 30001846 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30001846 | 10.1016/j.bmc.2018.07.005 | Peroxisome proliferator-activated receptor gamma | 4 |
Data from ChEMBL 36 via Core Engine