Compound Detail
CHEMBL368793
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Basic Information
| ChEMBL ID | CHEMBL368793 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZGQPKUCHZRPIDJ-UHFFFAOYSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
459.5
MW (Da)
6.31
ALogP
5
HBA
1
HBD
81.8
PSA (Ų)
0.25
QED
1
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 3 meas. best 7.68
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | Ki | 7.68 | 7.68 | 21.0 | 1 |
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | Ki | 7.28 | 7.28 | 53.0 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 6.35 | 6.35 | 448.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor delta | Ki | = | 21.0 | nM | 7.68 | In vitro binding affinity towards human peroxisome proliferator activated recept... | 12617924 |
| Peroxisome proliferator-activated receptor alpha | Ki | = | 53.0 | nM | 7.28 | In vitro binding affinity towards human peroxisome proliferator activated recept... | 12617924 |
| Peroxisome proliferator-activated receptor gamma | Ki | = | 448.0 | nM | 6.35 | In vitro binding affinity towards human peroxisome proliferator activated recept... | 12617924 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12617924 | 10.1016/s0960-894x(02)01029-6 | Peroxisome proliferator-activated receptor gamma | 1 |
| 12617924 | 10.1016/s0960-894x(02)01029-6 | Peroxisome proliferator-activated receptor delta | 1 |
| 12617924 | 10.1016/s0960-894x(02)01029-6 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine