Compound Detail
CHEMBL4167331
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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CS)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](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)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(N)=O)NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](C(N)=O)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4167331 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | ZSBQVWMWXGPOLK-HBZRQIATSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
3469.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 8.9
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | EC50 | 8.9 | 8.9 | 1.3 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 8.21 | 8.21 | 6.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | EC50 | = | 1.27 | nM | 8.9 | Agonist activity at human GCGR expressed in HEK293 cells assessed as increase in... | 28772236 |
| Glucagon-like peptide 1 receptor | EC50 | = | 6.14 | nM | 8.21 | Agonist activity at full length human GLP1R expressed in HEK293 cells assessed a... | 28772236 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28772236 | 10.1016/j.ejmech.2017.07.046 | Mus musculus | 2 |
| 28772236 | 10.1016/j.ejmech.2017.07.046 | Unchecked | 1 |
| 28772236 | 10.1016/j.ejmech.2017.07.046 | Glucagon receptor | 1 |
| 28772236 | 10.1016/j.ejmech.2017.07.046 | Glucagon-like peptide 1 receptor | 1 |
Data from ChEMBL 36 via Core Engine