Compound Detail
CHEMBL198166
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Basic Information
| ChEMBL ID | CHEMBL198166 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YACUEJKKHDKKTC-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
382.5
MW (Da)
5.18
ALogP
4
HBA
1
HBD
55.8
PSA (Ų)
0.35
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.94
Ki 1 meas. best 6.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 6.16 | 6.16 | 695.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 5.94 | 5.94 | 1142.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 695.0 | nM | 6.16 | Binding affinity for human PPAR gamma construct expressed in bacteria with 3[H] ... | 16137885 |
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 1142.0 | nM | 5.94 | In vitro effective concentration against human peroxisome proliferator activated... | 16137885 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16137885 | 10.1016/j.bmcl.2005.07.049 | Peroxisome proliferator-activated receptor gamma | 3 |
| 16137885 | 10.1016/j.bmcl.2005.07.049 | Peroxisome proliferator-activated receptor alpha | 2 |
Data from ChEMBL 36 via Core Engine