Compound Detail
CHEMBL3560331
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
Basic Information
| ChEMBL ID | CHEMBL3560331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NXTNVQJKGHAGAX-BJMVGYQFSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
419.8
MW (Da)
4.46
ALogP
2
HBA
0
HBD
23.6
PSA (Ų)
0.68
QED
0
Ro5 Violations
4
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.99
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| G-protein coupled receptor 183 CHEMBL3259470 | IC50 | 8.99 | 8.6 | 1.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| G-protein coupled receptor 183 | IC50 | = | 1.03 | nM | 8.99 | PubChem BioAssay. SAR confirmation of small molecule antagonists of the EBI2 rec... | - |
| G-protein coupled receptor 183 | IC50 | = | 6.24 | nM | 8.21 | PubChem BioAssay. Dose-response characterization of small molecule antagonists o... | - |
Data from ChEMBL 36 via Core Engine