Compound Detail
CHEMBL1774479
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Basic Information
| ChEMBL ID | CHEMBL1774479 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GGAMDSBQNCMVFV-UHFFFAOYSA-N |
2
Targets
2
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
272.8
MW (Da)
2.90
ALogP
3
HBA
1
HBD
58.5
PSA (Ų)
0.90
QED
0
Ro5 Violations
2
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 5.24
IC50 1 meas. best 5.24
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| NON-PROTEIN TARGET CHEMBL3879801 | EC50 | 5.24 | 5.24 | 5800.0 | 1 |
| Unchecked CHEMBL612545 | IC50 | 5.24 | 5.24 | 5800.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| NON-PROTEIN TARGET | EC50 | = | 5800.0 | nM | 5.24 | Myorelaxant effect in KCl-induced precontracted rat aorta ring VSMC | 21428460 |
| Unchecked | IC50 | = | 5800.0 | nM | 5.24 | Inhibition of glucose induced insulin secretion from rat Pancreatic islet assess... | 21428460 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 21428460 | 10.1021/jm200100c | Unchecked | 5 |
| 21428460 | 10.1021/jm200100c | NON-PROTEIN TARGET | 4 |
| 21428460 | 10.1021/jm200100c | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine