Compound Detail
CHEMBL5591096
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CC(C)C[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](CC(C)C)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](CSCC(=O)NCCCC[C@H](NC(=O)[C@@H](N)CCCCNC(=O)[C@@H](N)CCCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](Cc1ccc(O)cc1)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(=O)O)NC(=O)C(C)(C)NC(=O)[C@@H](N)Cc1ccc(O)cc1)[C@@H](C)O)[C@@H](C)O)C(C)C)C(=O)N[C@@H](C)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 | CHEMBL5591096 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NPKFUHRIWSYFTO-MMYQHUOYSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
5082.9
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 10.92
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastric inhibitory polypeptide receptor CHEMBL4383 | EC50 | 10.92 | 10.92 | 0.0 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 9.28 | 9.28 | 0.5 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastric inhibitory polypeptide receptor | EC50 | = | 0.012 | nM | 10.92 | Agonist activity at human GIPR expressed in CHO cells assessed as increase in cA... | 38330849 |
| Glucagon-like peptide 1 receptor | EC50 | = | 0.52 | nM | 9.28 | Agonist activity at human GLP-1R expressed in CHO cells assessed as increase in ... | 38330849 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 38330849 | 10.1016/j.bmc.2024.117630 | Gastric inhibitory polypeptide receptor | 1 |
| 38330849 | 10.1016/j.bmc.2024.117630 | Glucagon-like peptide 1 receptor | 1 |
| 38330849 | 10.1016/j.bmc.2024.117630 | Mus musculus | 1 |
Data from ChEMBL 36 via Core Engine