Compound Detail
CHEMBL4243327
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O=C(O)[C@@H](Cc1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)O)cc2)cc1)Oc1ccc(-c2ccccc2)cc1
Basic Information
| ChEMBL ID | CHEMBL4243327 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | IIQJBVKNHBQWHS-KKLWWLSJSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
558.6
MW (Da)
7.17
ALogP
4
HBA
2
HBD
93.1
PSA (Ų)
0.17
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 4.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 4.82 | 4.82 | 15000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 15000.0 | nM | 4.82 | Transactivation of GAL4-tagged human PPARgamma LBD expressed in human HepG2 cell... | 30199253 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30199253 | 10.1021/acs.jmedchem.8b00835 | Peroxisome proliferator-activated receptor alpha | 2 |
| 30199253 | 10.1021/acs.jmedchem.8b00835 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine