Compound Detail
CHEMBL2324298
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Basic Information
| ChEMBL ID | CHEMBL2324298 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HFZZOFWNFNPCTR-UHFFFAOYSA-N |
2
Targets
3
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
472.7
MW (Da)
6.07
ALogP
5
HBA
1
HBD
98.3
PSA (Ų)
0.29
QED
1
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.41
IC50 1 meas. best 6.32
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.41 | 8.41 | 3.9 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 6.32 | 6.32 | 480.0 | 1 |
| Trypanosoma brucei brucei CHEMBL612851 | EC50 | 5.38 | 5.38 | 4200.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3.9 | nM | 8.41 | Inverse agonist activity at PPARgamma LBD (unknown origin) assessed as recruitme... | 36270630 |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 480.0 | nM | 6.32 | Inverse agonist activity at PPARgamma in human RT112/84-FABP4 cells assessed as ... | 36270630 |
| Trypanosoma brucei brucei | EC50 | = | 4200.0 | nM | 5.38 | Antitrypanosomal activity against blood stream stage of Trypanosoma brucei bruce... | 23484493 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 36270630 | 10.1021/acs.jmedchem.2c01379 | Peroxisome proliferator-activated receptor gamma | 4 |
| 23484493 | 10.1021/jm301687p | Trypanosoma brucei brucei | 1 |
Data from ChEMBL 36 via Core Engine