Compound Detail
CHEMBL3616741
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CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCOCCOCC(=O)NCCCC[C@H](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(C)(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](CCC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](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](CCCNC(=N)N)C(=O)NCC(=O)N[C@@H](CCCNC(=N)N)C(=O)NCC(=O)O)C(C)C)[C@@H](C)CC)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL3616741 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | METCJLMPFHEFNC-LVAHIBTRSA-N |
1
Targets
3
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
3910.4
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 9.8
EC50 1 meas. best 10.83
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 10.83 | 10.83 | 0.0 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | IC50 | 9.8 | 9.135 | 0.2 | 2 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 0.0147 | nM | 10.83 | Agonist activity at human GLP1 receptor expressed in BHK cells after 3 hrs by CR... | 26308095 |
| Glucagon-like peptide 1 receptor | IC50 | = | 0.16 | nM | 9.8 | Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells afte... | 26308095 |
| Glucagon-like peptide 1 receptor | IC50 | = | 3.4 | nM | 8.47 | Displacement of [125I]-GLP1 from human GLP1 receptor expressed in BHK cells afte... | 26308095 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26308095 | 10.1021/acs.jmedchem.5b00726 | Glucagon-like peptide 1 receptor | 4 |
Data from ChEMBL 36 via Core Engine