Compound Detail
CHEMBL5592386
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O=C(O)c1ccc2nc(CN3CCC(c4cccc(OCc5ccc(C6COC6)cn5)n4)CC3)n(C[C@@H]3CCO3)c2c1
Basic Information
| ChEMBL ID | CHEMBL5592386 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | KGJMXWFNFXAHCN-SANMLTNESA-N |
1
Targets
1
Activities
1
Assay Types
1
PK Parameters
2
Publications
0
Known Names
Molecular Properties
569.7
MW (Da)
4.39
ALogP
9
HBA
1
HBD
111.8
PSA (Ų)
0.30
QED
1
Ro5 Violations
10
Rot. Bonds
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 1 meas. best 9.15
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 9.15 | 9.15 | 0.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.7167 | hr | Homo sapiens |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 0.7 | nM | 9.15 | 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 |
| 39140772 | 10.1021/acs.jmedchem.4c01177 | ADMET | 1 |
Data from ChEMBL 36 via Core Engine