Compound Detail
CHEMBL2181745
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CN(Cc1ccc(-c2nccnc2NS(=O)(=O)c2ccccc2C(F)(F)F)cc1)c1ccc(F)cc1
Basic Information
| ChEMBL ID | CHEMBL2181745 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | BJINUHXRLLDZQJ-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
516.5
MW (Da)
5.74
ALogP
5
HBA
1
HBD
75.2
PSA (Ų)
0.32
QED
2
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 2 meas. best 6.42
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 CHEMBL5071 | Ki | 6.42 | 6.42 | 380.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Prostaglandin D2 receptor 2 | Ki | = | 380.0 | nM | 6.42 | Inhibition of CRTH2 | 22224640 |
| Prostaglandin D2 receptor 2 | Ki | = | 380.0 | nM | 6.42 | Radioligand Binding Assay: The compounds of the present invention inhibit the bi... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22224640 | 10.1021/jm2013997 | Prostaglandin D2 receptor 2 | 1 |
Data from ChEMBL 36 via Core Engine