Compound Detail
CHEMBL125895
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Basic Information
| ChEMBL ID | CHEMBL125895 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMEWCLDVKLXCCZ-OGLMXYFKSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
461.5
MW (Da)
4.46
ALogP
7
HBA
1
HBD
89.9
PSA (Ų)
0.29
QED
0
Ro5 Violations
9
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 6.19
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 6.19 | 6.19 | 640.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 640.0 | nM | 6.19 | Peroxisome proliferator activated receptor gamma agonistic activity in HepG2 cel... | 10714503 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 640.0 | nM | 6.19 | Transactivation activity at PPARgamma (unknown origin) | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 10714503 | 10.1016/s0960-894x(00)00003-2 | Peroxisome proliferator-activated receptor gamma | 1 |
| 10714503 | 10.1016/s0960-894x(00)00003-2 | Mus musculus | 1 |
| - | 10.1007/s00044-010-9428-9 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine