Compound Detail
CHEMBL4086979
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CCCCCCCCCCCCCCCC(=O)N[C@@H](CCC(=O)NCCCC[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)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@H](CO)NC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)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(=O)O)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CC(N)=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)[C@@H](C)CC)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL4086979 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | QSTDEEQYDKLIQV-RNTNRNDHSA-N |
1
Targets
4
Activities
1
Assay Types
4
PK Parameters
3
Publications
0
Known Names
Molecular Properties
4582.1
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 4 meas. best 10.6
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon receptor CHEMBL4773 | EC50 | 10.6 | 10.6 | 0.0 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 11000.0 | ng.hr.mL-1 | Mus musculus |
| Cmax | 421.2 | nM | Mus musculus |
| T1/2 | 3.2 | hr | Mus musculus |
| Tmax | 1.0 | hr | Mus musculus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon receptor | EC50 | = | 0.025 | nM | 10.6 | Agonist activity at mouse glucagon receptor expressed in HEK293 cells assessed a... | 28448133 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 28448133 | 10.1021/acs.jmedchem.7b00174 | Mus musculus | 7 |
| 28448133 | 10.1021/acs.jmedchem.7b00174 | Glucagon-like peptide 1 receptor | 2 |
| 28448133 | 10.1021/acs.jmedchem.7b00174 | Glucagon receptor | 2 |
Data from ChEMBL 36 via Core Engine