Compound Detail
CHEMBL2111565
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O=C(N/N=C/c1cccc2c(OCc3ccc(OC(F)(F)F)cc3)cccc12)c1ccc(O)c(Cl)c1
Basic Information
| ChEMBL ID | CHEMBL2111565 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VEHKHQXOBRPGMA-XAZZYMPDSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
514.9
MW (Da)
6.44
ALogP
5
HBA
2
HBD
80.2
PSA (Ų)
0.22
QED
2
Ro5 Violations
7
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 |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 7.89 | 7.89 | 12.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 12.9 | nM | 7.89 | In vitro binding affinity for recombinant human glucagon receptor (hGGR) in BHK ... | 12477359 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(97)00188-1 | NON-PROTEIN TARGET | 2 |
| - | 10.1016/S0960-894X(97)00188-1 | Staphylococcus aureus | 1 |
| 12477359 | 10.1021/jm0208572 | Glucagon receptor | 1 |
| 12477359 | 10.1021/jm0208572 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine