Compound Detail
CHEMBL2112906
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(N/N=C/c1ccc(CS(=O)(=O)Cc2ccc(OC(F)(F)F)cc2)c2ccccc12)c1ccc(O)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL2112906 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | CKWYFXYUZHBWET-HIWRWHBISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
577.0
MW (Da)
5.98
ALogP
6
HBA
2
HBD
105.1
PSA (Ų)
0.20
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.16
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 8.16 | 8.16 | 6.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 6.9 | nM | 8.16 | In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK ... | 12477359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12477359 | 10.1021/jm0208572 | Glucagon receptor | 1 |
| 12477359 | 10.1021/jm0208572 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine