Compound Detail
CHEMBL2336753
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COc1cc2nc(NCC3CC4CCC(C3)N4C(=O)OC(C)(C)C)nc(Nc3ccc(S(C)(=O)=O)cc3F)c2cc1OC
Basic Information
| ChEMBL ID | CHEMBL2336753 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GQANSXDPJNTWLQ-UHFFFAOYSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
615.7
MW (Da)
5.52
ALogP
10
HBA
2
HBD
132.0
PSA (Ų)
0.33
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 6.0
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 6.0 | 6.0 | 1000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 1000.0 | nM | 6.0 | Agonist activity at human GPR119 expressed in HEK293 cells assessed as cAMP accu... | 23357035 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 23357035 | 10.1016/j.bmc.2012.12.013 | Glucose-dependent insulinotropic receptor | 2 |
Data from ChEMBL 36 via Core Engine