Compound Detail
CHEMBL148301
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Cc1c(C)c2c(c(C)c1O)CCC(C)(COc1ccc(C[C@H](Nc3ccccc3C(=O)c3ccccc3)C(=O)O)cc1)O2
Basic Information
| ChEMBL ID | CHEMBL148301 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OUOHCCLYSSBSLR-BRKUKBBPSA-N |
1
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
579.7
MW (Da)
6.82
ALogP
6
HBA
3
HBD
105.1
PSA (Ų)
0.18
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.04
Ki 2 meas. best 8.28
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | Ki | 8.28 | 8.28 | 5.2 | 1 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.04 | 7.24 | 9.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | Ki | = | 5.248 | nM | 8.28 | In vitro binding to peroxisome proliferator activated receptor gamma (PPAR gamma... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 9.12 | nM | 8.04 | Activation of peroxisome proliferator activated receptor gamma measured by induc... | 9836620 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 363.08 | nM | 6.44 | Ability to promote differentiation of C3H10T1/2 stem cells to adipocytes using l... | 9836620 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 9836620 | 10.1021/jm9804127 | Peroxisome proliferator-activated receptor gamma | 3 |
| 17482722 | 10.1016/j.ejmech.2007.03.004 | Peroxisome proliferator-activated receptor gamma | 1 |
Data from ChEMBL 36 via Core Engine