Compound Detail
CHEMBL3560431
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
O=C(/C=C/c1ccc(F)cc1)N1CCN(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)CC1
Basic Information
| ChEMBL ID | CHEMBL3560431 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JCDSRLDTKQWUNX-XCVCLJGOSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.4
MW (Da)
2.28
ALogP
5
HBA
0
HBD
100.8
PSA (Ų)
0.42
QED
0
Ro5 Violations
5
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 7.89
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 183 CHEMBL3259470 | IC50 | 7.89 | 7.89 | 12.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 183 | IC50 | = | 12.9 | nM | 7.89 | PubChem BioAssay. SAR confirmation of small molecule antagonists of the EBI2 rec... | - |
Data from ChEMBL 36 via Core Engine