Compound Detail
CHEMBL3084480
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CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1C[C@@H](Oc1ncnc(Nc3ccc(S(C)(=O)=O)cc3)c1[N+](=O)[O-])C2
Basic Information
| ChEMBL ID | CHEMBL3084480 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MWXSWPJHOYXOHF-FVQHAEBGSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
519.6
MW (Da)
3.84
ALogP
10
HBA
1
HBD
153.9
PSA (Ų)
0.44
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.31
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 8.31 | 8.075 | 4.9 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 4.9 | nM | 8.31 | Agonist activity at human GPR119 transfected in HEK293 cells assessed as concent... | 23374864 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 14.5 | nM | 7.84 | Agonist activity at human GPR119 transfected in HEK293 cells assessed as concent... | 23374864 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23374864 | 10.1016/j.bmcl.2012.12.011 | Glucose-dependent insulinotropic receptor | 4 |
Data from ChEMBL 36 via Core Engine