Compound Detail
CHEMBL5182173
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CCCC[C@H](NC(=O)[C@H](Cc1ccc(CS(=O)(=O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)[C@H](CCCNC(=N)N)NC(=O)CNC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](CCC(N)=O)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CO)NC(=O)[C@H](CO)NC(=O)[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(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)[C@@H](C)CC)C(C)C)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N(C)[C@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL5182173 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LBJCFYRWIGIUNI-KQFASMHKSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
4
Publications
0
Known Names
Molecular Properties
4704.3
MW (Da)
Drug Information
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.8
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | EC50 | 8.94 | 8.94 | 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 | = | 0.16 | nM | 9.8 | Agonist activity at human GLP-1R expressed in HEK293 cells assessed as cAMP rele... | 35231829 |
| Cholecystokinin receptor type A | EC50 | = | 1.14 | nM | 8.94 | Agonist activity at human CCK1R expressed in HEK293 cells assessed as ERK1/2 pho... | 35231829 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 35231829 | 10.1016/j.ejmech.2022.114214 | Mus musculus | 3 |
| 35231829 | 10.1016/j.ejmech.2022.114214 | Glucagon-like peptide 1 receptor | 1 |
| 35231829 | 10.1016/j.ejmech.2022.114214 | Cholecystokinin receptor type A | 1 |
| 35231829 | 10.1016/j.ejmech.2022.114214 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine