Compound Detail
CHEMBL3354776
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CCOC(=O)[C@](C)(Cc1ccccc1)c1ccnc2c(-c3ccc(C(F)(F)F)cc3)c(C)nn12
Basic Information
| ChEMBL ID | CHEMBL3354776 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | AMSWJDFXNZZHEI-RUZDIDTESA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
467.5
MW (Da)
5.79
ALogP
5
HBA
0
HBD
56.5
PSA (Ų)
0.34
QED
1
Ro5 Violations
6
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.64
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 7.64 | 7.64 | 23.0 | 1 |
| Glucose-dependent insulinotropic receptor CHEMBL5263 | EC50 | 7.62 | 7.62 | 24.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 23.0 | nM | 7.64 | Agonist activity at human GPR119 overexpressed in CHO cells assessed as increase... | 25455488 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 24.0 | nM | 7.62 | Agonist activity at mouse GPR119 overexpressed in CHO cells assessed as increase... | 25455488 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25455488 | 10.1016/j.bmcl.2014.10.010 | Glucose-dependent insulinotropic receptor | 4 |
Data from ChEMBL 36 via Core Engine