Compound Detail
CHEMBL5594583
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O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6COC6)cc5OCC(F)(F)F)n4)CC3)n(C[C@@H]3CCO3)c2c1
Basic Information
| ChEMBL ID | CHEMBL5594583 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | VXPHWBKTTHIYBV-MHZLTWQESA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
666.7
MW (Da)
5.93
ALogP
9
HBA
1
HBD
108.2
PSA (Ų)
0.20
QED
2
Ro5 Violations
12
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 8.55
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 8.55 | 8.55 | 2.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 2.8 | nM | 8.55 | Agonist activity at human GLP-1R expressed in HEK293 cells assessed as accumulat... | 39140772 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 39140772 | 10.1021/acs.jmedchem.4c01177 | Glucagon-like peptide 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine