Compound Detail
CHEMBL189844
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Basic Information
| ChEMBL ID | CHEMBL189844 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UBQQRAJQIMDDRW-UHFFFAOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
444.8
MW (Da)
5.38
ALogP
4
HBA
1
HBD
65.0
PSA (Ų)
0.55
QED
1
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 7.38
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Unchecked CHEMBL612545 | IC50 | 7.38 | 7.38 | 42.0 | 1 |
| Peroxisome proliferator-activated receptor delta CHEMBL3979 | IC50 | 6.08 | 6.08 | 834.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Unchecked | IC50 | = | 42.0 | nM | 7.38 | In vitro binding affinity for PPAR-alpha | 16107159 |
| Peroxisome proliferator-activated receptor delta | IC50 | = | 834.0 | nM | 6.08 | In vitro binding affinity for PPAR-delta | 16107159 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 16107159 | 10.1021/jm050373g | Peroxisome proliferator-activated receptor alpha | 3 |
| 16107159 | 10.1021/jm050373g | Peroxisome proliferator-activated receptor gamma | 2 |
| 16107159 | 10.1021/jm050373g | Unchecked | 1 |
| 16107159 | 10.1021/jm050373g | Peroxisome proliferator-activated receptor delta | 1 |
Data from ChEMBL 36 via Core Engine