Compound Detail
CHEMBL1092633
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COC1Oc2cc(O)c3c(c2C(=O)N1C(=O)NCc1ccc([N+](=O)[O-])cc1)OC1=CC(O)=C(C(C)=O)C(=O)[C@]13C
Basic Information
| ChEMBL ID | CHEMBL1092633 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QBEQXCDAVWHQIC-FXDYGKIASA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
551.5
MW (Da)
2.49
ALogP
11
HBA
3
HBD
194.8
PSA (Ų)
0.28
QED
2
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma CHEMBL235 | EC50 | 5.22 | 5.22 | 6000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Peroxisome proliferator-activated receptor gamma | EC50 | = | 6000.0 | nM | 5.22 | Agonist activity at PPARgamma assessed as transcriptional activation | 20219371 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 20219371 | 10.1016/j.bmcl.2010.02.073 | Peroxisome proliferator-activated receptor gamma | 2 |
Data from ChEMBL 36 via Core Engine