Compound Detail
CHEMBL1771097
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
Basic Information
| ChEMBL ID | CHEMBL1771097 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | RWBWCXVARSSZKV-UHFFFAOYSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
444.9
MW (Da)
4.09
ALogP
5
HBA
1
HBD
67.3
PSA (Ų)
0.70
QED
0
Ro5 Violations
7
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 8.05
IC50 2 meas. best 5.82
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor CHEMBL5263 | EC50 | 8.05 | 7.845 | 9.0 | 2 |
| Glucose-dependent insulinotropic receptor CHEMBL5652 | EC50 | 7.7 | 7.56 | 20.0 | 2 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 CHEMBL240 | IC50 | 5.82 | 5.77 | 1500.0 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucose-dependent insulinotropic receptor | EC50 | = | 9.0 | nM | 8.05 | Agonist activity at mouse GPR119 expressed in CHO cells co-expressing Galpha15 a... | 21273063 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 20.0 | nM | 7.7 | Agonist activity at human GPR119 expressed in CHO cells co-expressing Galpha15 a... | 21273063 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 23.0 | nM | 7.64 | Agonist activity at mouse GPR119 expressed in CHO cells co-expressing Galpha15 a... | 21273063 |
| Glucose-dependent insulinotropic receptor | EC50 | = | 38.0 | nM | 7.42 | Agonist activity at human GPR119 expressed in CHO cells co-expressing Galpha15 a... | 21273063 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1500.0 | nM | 5.82 | Inhibition of human ERG | 21273063 |
| Voltage-gated inwardly rectifying potassium channel KCNH2 | IC50 | = | 1900.0 | nM | 5.72 | Inhibition of human ERG | 21273063 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21273063 | 10.1016/j.bmcl.2010.12.086 | Glucose-dependent insulinotropic receptor | 4 |
| 21273063 | 10.1016/j.bmcl.2010.12.086 | Voltage-gated inwardly rectifying potassium channel KCNH2 | 2 |
Data from ChEMBL 36 via Core Engine