Compound Detail
CHEMBL4546295
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COc1cc(C(F)(F)F)nc2ccc(COc3ccc(OCC4CCN(C)CC4)c(/C=C(\CCC4CC4)C(=O)O)c3)cc12
Basic Information
| ChEMBL ID | CHEMBL4546295 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JUUYDZRCNZTBLB-LFVJCYFKSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
598.7
MW (Da)
7.22
ALogP
6
HBA
1
HBD
81.1
PSA (Ų)
0.22
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 5.12
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 5.12 | 5.12 | 7500.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 7500.0 | nM | 5.12 | Antagonist actvity in pFA-GAL4-DBD fused PPARgamma LBD (unknown origin) transfec... | 31548084 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 31548084 | 10.1016/j.bmc.2019.115082 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine