Compound Detail
CHEMBL4762061
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CC[C@H](C)[C@@H]1NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2cnc[nH]2)[C@@H](C)O)[C@@H](C)O)CSCc2cc3cc(c2)CSC[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N2CCC[C@H]2C(=O)N[C@@H](CO)C(N)=O)NC(=O)CNC(=O)[C@H](CO)NC(=O)[C@@H](CO)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CNC(=O)[C@H](CSC3)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc2c[nH]c3ccccc23)NC(=O)[C@H](CCC(=O)O)NC1=O
Basic Information
| ChEMBL ID | CHEMBL4762061 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | UMQLZPGJRQBXDB-YNFHDKFTSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
4340.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.71
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 9.71 | 9.71 | 0.2 | 1 |
| Glucagon receptor CHEMBL1985 | EC50 | 9.24 | 9.24 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 0.194 | nM | 9.71 | Agonist activity at human GLP-1 receptor expressed in HEK293 cells assessed as i... | 33017535 |
| Glucagon receptor | EC50 | = | 0.578 | nM | 9.24 | Agonist activity at human glucagon receptor expressed in HEK293 cells assessed a... | 33017535 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33017535 | 10.1021/acs.jmedchem.0c01500 | Glucagon-like peptide 1 receptor | 1 |
| 33017535 | 10.1021/acs.jmedchem.0c01500 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine