Compound Detail
CHEMBL456071
HALOFENATE 🧪 Phase II
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🧪 Phase II
Basic Information
| ChEMBL ID | CHEMBL456071 |
| Name | HALOFENATE |
| Phase | Phase II |
| Structure Type | MOL |
| InChI Key | BJBCSGQLZQGGIQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
3
Known Names
Molecular Properties
415.8
MW (Da)
4.16
ALogP
4
HBA
1
HBD
64.6
PSA (Ų)
0.54
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Chirality | Racemic |
Activity Summary
IC50 1 meas. best 4.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 4.4 | 4.4 | 40000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 40000.0 | nM | 4.4 | Antagonist activity at human PPARgamma receptor expressed in Saccharomyces cerev... | 18329752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 15646539 | 10.1016/s0399-8320(04)95062-2 | Unchecked | 11 |
| 15646539 | 10.1016/s0399-8320(04)95062-2 | NON-PROTEIN TARGET | 8 |
| 16019946 | 10.1080/00498250400028197 | ADMET | 4 |
| 18329752 | 10.1016/j.ejmech.2008.01.032 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine