Compound Detail
CHEMBL3314492
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C=C1[C@@H](CC/C(C)=C/CO)[C@@]2(C)CCC[C@](C)(C(=O)O)[C@@H]2[C@H](OC(=O)c2ccccc2)[C@H]1OC(C)=O
Basic Information
| ChEMBL ID | CHEMBL3314492 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GIZWHSIXXJICSK-NFSQIVDPSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
498.6
MW (Da)
4.95
ALogP
6
HBA
2
HBD
110.1
PSA (Ų)
0.39
QED
0
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.05
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL2459 | EC50 | 6.05 | 6.05 | 900.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 900.0 | nM | 6.05 | Agonist activity at mouse PPARgamma expressed in HEK293 cells co-expressing with... | 24955889 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 24955889 | 10.1021/np500150f | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine