Compound Detail
CHEMBL5429544
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N#Cc1ccc(COc2nc(N3CCC4(CC3)C[C@@H]4c3nc4ccc(C(=O)O)cc4n3C[C@@H]3CCO3)ccc2F)c(F)c1
Basic Information
| ChEMBL ID | CHEMBL5429544 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LRSGIYCSDGYUAQ-XZOQPEGZSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
585.6
MW (Da)
5.42
ALogP
8
HBA
1
HBD
113.5
PSA (Ų)
0.29
QED
2
Ro5 Violations
8
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 7.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 7.85 | 7.85 | 14.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 14.0 | nM | 7.85 | 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 | ADMET | 2 |
| 37591316 | 10.1016/j.bmcl.2023.129454 | Glucagon-like peptide 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine