Compound Detail
CHEMBL4857523
Enter ChEMBL ID:
Free Research Context
This compound will appear in recent viewed items on the research home for this browser.
Research home
View demo workspace
CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=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](O)Cc1ccccc1)[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](CO)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCNC(=N)N)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](CCSC)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)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4857523 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QVSVLRYVPXFJOT-ATDSOETASA-N |
6
Targets
6
Activities
1
Assay Types
3
PK Parameters
6
Publications
0
Known Names
Molecular Properties
3434.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 6 meas. best 9.37
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL1985 | IC50 | 9.37 | 9.37 | 0.4 | 1 |
| Glucagon receptor CHEMBL4773 | IC50 | 9.28 | 9.28 | 0.5 | 1 |
| Gastric inhibitory polypeptide receptor CHEMBL4383 | IC50 | 7.22 | 7.22 | 60.0 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | IC50 | 7.0 | 7.0 | 99.0 | 1 |
| Gastric inhibitory polypeptide receptor CHEMBL4879457 | IC50 | 6.9 | 6.9 | 125.0 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1075290 | IC50 | 6.88 | 6.88 | 131.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 128466.01 | ng.hr.mL-1 | Mus musculus |
| Cmax | 3310.0 | nM | Mus musculus |
| T1/2 | 6.73 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | IC50 | = | 0.43 | nM | 9.37 | Antagonist activity at human GCGR expressed in HEK293 cells assessed as inhibiti... | 33821647 |
| Glucagon receptor | IC50 | = | 0.53 | nM | 9.28 | Antagonist activity at mouse GCGR expressed in CHO-K1 cells assessed as inhibiti... | 33821647 |
| Gastric inhibitory polypeptide receptor | IC50 | = | 60.0 | nM | 7.22 | Antagonist activity at human GIPR expressed in HEK293 cells assessed as inhibiti... | 33821647 |
| Glucagon-like peptide 1 receptor | IC50 | = | 99.0 | nM | 7.0 | Antagonist activity at human GLP-1R expressed in HEK293 cells assessed as inhibi... | 33821647 |
| Gastric inhibitory polypeptide receptor | IC50 | = | 125.0 | nM | 6.9 | Antagonist activity at mouse GIPR expressed in CHO-K1 cells assessed as inhibiti... | 33821647 |
| Glucagon-like peptide 1 receptor | IC50 | = | 131.0 | nM | 6.88 | Antagonist activity at mouse GLP1R expressed in CHO-K1 cells assessed as inhibit... | 33821647 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33821647 | 10.1021/acs.jmedchem.0c02069 | Glucagon receptor | 5 |
| 33821647 | 10.1021/acs.jmedchem.0c02069 | Gastric inhibitory polypeptide receptor | 4 |
| 33821647 | 10.1021/acs.jmedchem.0c02069 | Glucagon-like peptide 1 receptor | 4 |
| 33821647 | 10.1021/acs.jmedchem.0c02069 | ADMET | 4 |
| 33821647 | 10.1021/acs.jmedchem.0c02069 | Unchecked | 2 |
| 33821647 | 10.1021/acs.jmedchem.0c02069 | No relevant target | 1 |
Data from ChEMBL 36 via Core Engine