Compound Detail
CHEMBL1771101
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Basic Information
| ChEMBL ID | CHEMBL1771101 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | XCMQGEUINVIVHT-DYESRHJHSA-N |
3
Targets
3
Activities
2
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
424.9
MW (Da)
4.03
ALogP
7
HBA
0
HBD
69.0
PSA (Ų)
0.57
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.4
IC50 1 meas. best 4.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 8.4 | 8.4 | 4.0 | 1 |
| Glucose-dependent insulinotropic receptor CHEMBL5263 | EC50 | 8.22 | 8.22 | 6.0 | 1 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 4.72 | 4.72 | 19000.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 4.0 | nM | 8.4 | Agonist activity at human GPR119 expressed in CHO cells co-expressing Galpha15 a... | 21273063 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 6.0 | nM | 8.22 | Agonist activity at mouse GPR119 expressed in CHO cells co-expressing Galpha15 a... | 21273063 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 19000.0 | nM | 4.72 | Inhibition of human ERG by patch clamp technique | 21273063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21273063 | 10.1016/j.bmcl.2010.12.086 | Glucose-dependent insulinotropic receptor | 2 |
| 21273063 | 10.1016/j.bmcl.2010.12.086 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 1 |
| 21273063 | 10.1016/j.bmcl.2010.12.086 | No relevant target | 1 |
| 21273063 | 10.1016/j.bmcl.2010.12.086 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine