Compound Detail
CHEMBL499930
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1c[nH]cn1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)C(C)C
Basic Information
| ChEMBL ID | CHEMBL499930 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | FZWMHWVGNYURLN-AAEALURTSA-N |
2
Targets
6
Activities
3
Assay Types
1
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3354.7
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.22
IC50 1 meas. best 8.77
Ki 1 meas. best 9.49
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 10.22 | 9.325 | 0.1 | 2 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | Ki | 9.49 | 9.49 | 0.3 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL5862 | EC50 | 9.05 | 9.05 | 0.9 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | IC50 | 8.77 | 8.77 | 1.7 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| T1/2 | 0.5 | 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 | = | 0.06 | nM | 10.22 | Agonist activity at human GLP1R expressed in CHO cells assessed as cAMP accumula... | 27823886 |
| Glucagon-like peptide 1 receptor | Ki | = | 0.32 | nM | 9.49 | Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO ... | 27823886 |
| Glucagon-like peptide 1 receptor | EC50 | = | 0.9 | nM | 9.05 | Agonist activity at GLP1R in rat INS-1 cells assessed as increase in glucose-sti... | 27823886 |
| Glucagon-like peptide 1 receptor | IC50 | = | 1.7 | nM | 8.77 | Displacement of [125I]GLP1 from human GLP1R expressed in CHOK1 cells | 18412318 |
| Glucagon-like peptide 1 receptor | EC50 | = | 3.7 | nM | 8.43 | Agonist activity at human GLP1R expressed in CHOK1 cells assessed as induction o... | 27823886 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 27823886 | 10.1016/j.ejmech.2016.10.044 | Glucagon-like peptide 1 receptor | 4 |
| 18412318 | 10.1021/jm701522b | Glucagon-like peptide 1 receptor | 2 |
| 18412318 | 10.1021/jm701522b | Plasma | 1 |
Data from ChEMBL 36 via Core Engine