Compound Detail
CHEMBL3601096
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C[C@@H](Cc1cccc(NC(=O)c2ccc(NC(=O)Cc3ccc(C(C)(C)C)cc3)cc2)c1)C(=O)N1C(=O)OC[C@H]1Cc1ccccc1
Basic Information
| ChEMBL ID | CHEMBL3601096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | HVYFWWFTKGRBIY-UVMFRMCBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
631.8
MW (Da)
7.19
ALogP
5
HBA
2
HBD
104.8
PSA (Ų)
0.19
QED
2
Ro5 Violations
10
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.01
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha CHEMBL239 | EC50 | 6.01 | 6.01 | 966.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor alpha | EC50 | = | 966.0 | nM | 6.01 | Agonist activity at human PPARalpha transfected in human MCF7 cells after 16 hrs... | 26226490 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26226490 | 10.1021/acs.jmedchem.5b00849 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine