Compound Detail
CHEMBL4172551
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COc1c(Nc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1C[C@@H]2COC[C@@H](C1)N2C(=O)OC1(C)CC1
Basic Information
| ChEMBL ID | CHEMBL4172551 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | OOEDDQOUAOPIDQ-HUUCEWRRSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
536.6
MW (Da)
3.07
ALogP
10
HBA
1
HBD
129.2
PSA (Ų)
0.56
QED
1
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5263 | EC50 | 9.37 | 9.37 | 0.4 | 1 |
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 7.01 | 7.01 | 97.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 0.427 | nM | 9.37 | Agonist activity at mouse GPR119 assessed as increase in cAMP level | 29795759 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 97.0 | nM | 7.01 | Agonist activity at human GPR119 expressed in HEK293 cells assessed as increase ... | 29795759 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29795759 | 10.1021/acsmedchemlett.8b00073 | Glucose-dependent insulinotropic receptor | 4 |
| 29795759 | 10.1021/acsmedchemlett.8b00073 | ADMET | 2 |
| 29795759 | 10.1021/acsmedchemlett.8b00073 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine