Compound Detail
CHEMBL4066463
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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)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@@H]1CC(=O)NCCCC[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CO)NC(=O)[C@@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N1)C(=O)N[C@H]1CCCCNC(=O)C[C@@H](C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(N)=O)NC(=O)[C@H](C(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4066463 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | GTTVPRVXWNXVCF-SVALDQNESA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
3407.7
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 9.6
Ki 1 meas. best 8.85
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL5862 | EC50 | 9.6 | 9.6 | 0.2 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | Ki | 8.85 | 8.85 | 1.4 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 7.96 | 7.96 | 11.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 0.25 | nM | 9.6 | Agonist activity at GLP1R in rat INS-1 cells assessed as increase in glucose-sti... | 27823886 |
| Glucagon-like peptide 1 receptor | Ki | = | 1.4 | nM | 8.85 | Displacement of [125I]-GLP (7 to 36 residues) from human GLP1R expressed in CHO ... | 27823886 |
| Glucagon-like peptide 1 receptor | EC50 | = | 11.0 | nM | 7.96 | 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 |
Data from ChEMBL 36 via Core Engine