Compound Detail
CHEMBL4062726
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CC(C)(C)OC(=O)N1CC2CCC1CC2Nc1ncnc(Nc2ccc(S(C)(=O)=O)cc2)c1[N+](=O)[O-]
Basic Information
| ChEMBL ID | CHEMBL4062726 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WMEUENUUIMKKBN-UHFFFAOYSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
518.6
MW (Da)
3.73
ALogP
10
HBA
2
HBD
156.7
PSA (Ų)
0.43
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.25
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 8.25 | 8.22 | 5.6 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 5.6 | nM | 8.25 | Agonist activity at human GPR119 expressed in HEK293 cells assessed as increase ... | 28408218 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 6.4 | nM | 8.19 | Agonist activity at human GPR119 expressed in HEK293 cells assessed as increase ... | 28408218 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28408218 | 10.1016/j.bmcl.2017.03.092 | Glucose-dependent insulinotropic receptor | 4 |
Data from ChEMBL 36 via Core Engine