Compound Detail
CHEMBL5590721
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](C)NC(=O)C(C)(C)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](C)NC(=O)[C@H](CCCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@](C)(CC(C)C)NC(=O)[C@@H](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(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)[C@@H](C)CC)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)O)C(=O)NCC(=O)NCC(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5590721 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | MLOLQJNKXBNWFW-JMUPIODPSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
4731.4
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.66
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastric inhibitory polypeptide receptor CHEMBL4383 | EC50 | 10.66 | 10.66 | 0.0 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 10.39 | 10.39 | 0.0 | 1 |
| Glucagon receptor CHEMBL1985 | EC50 | 9.64 | 9.64 | 0.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastric inhibitory polypeptide receptor | EC50 | = | 0.022 | nM | 10.66 | Agonist activity at human GIPR receptor expressed in HEK293 cells assessed as cA... | 38117235 |
| Glucagon-like peptide 1 receptor | EC50 | = | 0.041 | nM | 10.39 | Agonist activity at human GLP-1 receptor expressed in HEK293 cells assessed as c... | 38117235 |
| Glucagon receptor | EC50 | = | 0.23 | nM | 9.64 | Agonist activity at human GCGR expressed in HEK293 cells assessed as cAMP level ... | 38117235 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38117235 | 10.1021/acs.jmedchem.3c01049 | Mus musculus | 9 |
| 38117235 | 10.1021/acs.jmedchem.3c01049 | Glucagon-like peptide 1 receptor | 1 |
| 38117235 | 10.1021/acs.jmedchem.3c01049 | Glucagon receptor | 1 |
| 38117235 | 10.1021/acs.jmedchem.3c01049 | Gastric inhibitory polypeptide receptor | 1 |
Data from ChEMBL 36 via Core Engine