Compound Detail
CHEMBL54197
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Basic Information
| ChEMBL ID | CHEMBL54197 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QFWDTTPJNPLQRE-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
491.6
MW (Da)
6.61
ALogP
6
HBA
1
HBD
73.9
PSA (Ų)
0.30
QED
1
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.58
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.58 | 5.58 | 2600.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 2600.0 | nM | 5.58 | In vitro binding affinity against human PPAR gamma (peroxisome proliferator-acti... | 12729668 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12729668 | 10.1016/s0960-894x(03)00257-9 | Peroxisome proliferator-activated receptor alpha | 1 |
| 12729668 | 10.1016/s0960-894x(03)00257-9 | Peroxisome proliferator-activated receptor delta | 1 |
| 12729668 | 10.1016/s0960-894x(03)00257-9 | Peroxisome proliferator-activated receptor gamma | 1 |
| - | 10.1007/s00044-010-9428-9 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine