Compound Detail
CHEMBL501616
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CCCCCCCC/C=C\CCCCCCCCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c(-c2ccc(Cl)cc2)c1C
Basic Information
| ChEMBL ID | CHEMBL501616 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NKEFVSDMFBNDPK-KHPPLWFESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
631.1
MW (Da)
11.58
ALogP
3
HBA
1
HBD
46.9
PSA (Ų)
0.11
QED
2
Ro5 Violations
19
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.33
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Pre-mRNA-processing factor 19 CHEMBL5058 | EC50 | 6.33 | 6.33 | 467.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Pre-mRNA-processing factor 19 | EC50 | = | 467.0 | nM | 6.33 | Agonist activity at human PPARalpha expressed in human MCF7 cells coexpressing T... | 18952442 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18952442 | 10.1016/j.bmc.2008.10.023 | Pre-mRNA-processing factor 19 | 1 |
| 18952442 | 10.1016/j.bmc.2008.10.023 | Peroxisome proliferator-activated receptor alpha | 1 |
Data from ChEMBL 36 via Core Engine