Compound Detail
CHEMBL4224968
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CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[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(N)=O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](C(N)=O)[C@@H](C)O)C(C)C)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4224968 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | PNRPFBMNRPUKMV-XLFANGFGSA-N |
2
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
3724.2
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.03
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 10.03 | 10.03 | 0.1 | 1 |
| Gastric inhibitory polypeptide receptor CHEMBL4383 | EC50 | 8.96 | 8.96 | 1.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | EC50 | = | 0.093 | nM | 10.03 | Agonist activity at human GLP1 receptor expressed in HEK293 cells assessed as in... | 29153547 |
| Gastric inhibitory polypeptide receptor | EC50 | = | 1.103 | nM | 8.96 | Agonist activity at human GIP receptor expressed in HEK293 cells assessed as inc... | 29153547 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 29153547 | 10.1016/j.bmc.2017.10.047 | Glucagon-like peptide 1 receptor | 2 |
| 29153547 | 10.1016/j.bmc.2017.10.047 | Glucagon receptor | 2 |
| 29153547 | 10.1016/j.bmc.2017.10.047 | Gastric inhibitory polypeptide receptor | 2 |
Data from ChEMBL 36 via Core Engine