Compound Detail
CHEMBL4299664
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CCCCC(NC(=O)[C@@H](CCC(=O)O)NC(=O)[C@@H](CC(=O)O)NC(=O)[C@@H](CO)NC(=O)[C@@H](Cc1ccccc1)NC(=O)[C@@H](CO)NC(=O)CNC(=O)[C@@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(=O)NC(Cc1ccc(Cl)cc1)C(=O)N[C@H](C(=O)N[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C(=O)N[C@@H](CCCCN)C(N)=O)[C@H](C)O)[C@@H](C)CC)[C@H](C)CC)[C@H](C)CC)[C@@H](C)O
Basic Information
| ChEMBL ID | CHEMBL4299664 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JJEJAWLMBHVANV-ZBTVVMBUSA-N |
2
Targets
2
Activities
1
Assay Types
1
PK Parameters
5
Publications
0
Known Names
Molecular Properties
3471.3
MW (Da)
Drug Information
| Molecule Type | Unknown |
| 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 2 receptor CHEMBL5844 | EC50 | 9.8 | 9.8 | 0.2 | 1 |
| Glucagon-like peptide 1 receptor CHEMBL1784 | EC50 | 8.06 | 8.06 | 8.8 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| CL | 0.55 | mL.min-1.kg-1 | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 2 receptor | EC50 | = | 0.16 | nM | 9.8 | Agonist activity at human GLP2R expressed in HEK293 cells after 5 hrs by lucifer... | 26986178 |
| Glucagon-like peptide 1 receptor | EC50 | = | 8.8 | nM | 8.06 | Agonist activity at human GLP1R expressed in HEK293 cells after 5 hrs by lucifer... | 26986178 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 26986178 | 10.1021/acs.jmedchem.5b01909 | Glucagon-like peptide 1 receptor | 2 |
| 26986178 | 10.1021/acs.jmedchem.5b01909 | Glucagon-like peptide 2 receptor | 1 |
| 26986178 | 10.1021/acs.jmedchem.5b01909 | Unchecked | 1 |
| 26986178 | 10.1021/acs.jmedchem.5b01909 | Rattus norvegicus | 1 |
| 26986178 | 10.1021/acs.jmedchem.5b01909 | Glucagon receptor | 1 |
Data from ChEMBL 36 via Core Engine