Compound Detail
CHEMBL5414345
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O=C(O)c1ccc2nc([C@H]3CC34CCN(c3nc(OCc5ccc(Cl)cc5F)ncc3F)CC4)n(C[C@H]3CCO3)c2c1
Basic Information
| ChEMBL ID | CHEMBL5414345 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WGJWSPKUAKTYJQ-NHCUHLMSSA-N |
1
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
596.0
MW (Da)
5.60
ALogP
8
HBA
1
HBD
102.6
PSA (Ų)
0.28
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 8.96 | 8.21 | 1.1 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 1.1 | nM | 8.96 | Agonist activity at GLP-1 receptor (unknown origin) expressed in CHO cells by cA... | 37591316 |
| Glucagon-like peptide 1 receptor | EC50 | = | 35.0 | nM | 7.46 | Displacement of [125I]-GLP1 from GLP-1 receptor (unknown origin) expressed in CH... | 37591316 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 37591316 | 10.1016/j.bmcl.2023.129454 | Glucagon-like peptide 1 receptor | 2 |
| 37591316 | 10.1016/j.bmcl.2023.129454 | ADMET | 2 |
Data from ChEMBL 36 via Core Engine