Compound Detail
CHEMBL2158411
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COc1cc([C@H]2[C@](NC(=O)c3ccc(NC(=O)OC(C)(C)C)cc3)(C(=O)O)[C@@H](c3ccc(OC(=O)c4cccs4)c(OC)c3)[C@]2(NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)C(=O)O)ccc1OC(=O)c1cccs1
Basic Information
| ChEMBL ID | CHEMBL2158411 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JSLFGFBQFKCNSQ-NHONBVHKSA-N |
2
Targets
5
Activities
2
Assay Types
0
PK Parameters
6
Publications
0
Known Names
Molecular Properties
1077.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 6.43
IC50 2 meas. best 6.22
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL5862 | EC50 | 6.43 | 6.25 | 370.7 | 2 |
| Glucagon-like peptide 1 receptor CHEMBL5862 | IC50 | 6.22 | 6.01 | 600.0 | 2 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 6.07 | 6.07 | 846.8 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 370.7 | nM | 6.43 | Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation ... | 22103243 |
| Glucagon-like peptide 1 receptor | IC50 | = | 600.0 | nM | 6.22 | Inhibition of [125I]GLP1 (7-36) amide binding to rat GLP1R expressed in HEK293 c... | 22103243 |
| Glucagon-like peptide 1 receptor | EC50 | = | 846.8 | nM | 6.07 | Agonist activity at rat GLP1R expressed in HEK293 cells assessed as stimulation ... | 22103243 |
| Glucagon-like peptide 1 receptor | EC50 | = | 846.8 | nM | 6.07 | Agonist activity at human GLP1 receptor | 31494471 |
| Glucagon-like peptide 1 receptor | IC50 | = | 1600.0 | nM | 5.8 | Inhibition of [125I]GLP1 (7-36) amide binding to rat GLP1R expressed in HEK293 c... | 22103243 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 22103243 | 10.1021/jm201150j | Glucagon-like peptide 1 receptor | 10 |
| 22103243 | 10.1021/jm201150j | Mus musculus | 1 |
| 22103243 | 10.1021/jm201150j | Gastric inhibitory polypeptide receptor | 1 |
| 22103243 | 10.1021/jm201150j | Glucagon receptor | 1 |
| 22103243 | 10.1021/jm201150j | Glucagon-like peptide 2 receptor | 1 |
| 31494471 | 10.1016/j.ejmech.2019.111637 | Glucagon-like peptide 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine