Compound Detail
CHEMBL3695832
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CC[C@@H](NC(=O)c1ccc2c(c1)c(C)c(C)n2Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3695832 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GAGNYMUXGIUCTR-WJOKGBTCSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.6
MW (Da)
7.55
ALogP
3
HBA
2
HBD
71.3
PSA (Ų)
0.22
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 10.0
EC50 1 meas. best 8.52
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | IC50 | 10.0 | 9.945 | 0.1 | 2 |
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 8.52 | 8.52 | 3.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 0.1 | nM | 10.0 | Lanthascreen Competitive Binding Assay: The assay was performed according to man... | - |
| Peroxisome proliferator-activated receptor gamma | IC50 | = | 0.13 | nM | 9.89 | Binding affinity to GST-tagged PPAR-gamma-LBD (unknown origin) after 2 hrs by La... | 26396687 |
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 3.0 | nM | 8.52 | Transactivation of human PPARgamma in HEK293T cells after 18 hrs by luciferase r... | 26396687 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26396687 | 10.1021/acsmedchemlett.5b00218 | Peroxisome proliferator-activated receptor gamma | 3 |
Data from ChEMBL 36 via Core Engine