Compound Detail
CHEMBL1092706
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CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](CCCCN)NC(=O)[C@H](CO)NC(=O)[C@H](CC(C)C)OC(=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)CNC(=O)[C@@H](N)Cc1cnc[nH]1)[C@@H](C)O)[C@@H](C)O)C(C)C)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](CCCCNC(=O)CC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@H](O)CC[C@]4(C)[C@H]3C[C@H](O)[C@]12C)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
Basic Information
| ChEMBL ID | CHEMBL1092706 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | YJBSGBAAKQPYPO-LKFFTBIGSA-N |
1
Targets
1
Activities
1
Assay Types
5
PK Parameters
5
Publications
0
Known Names
Molecular Properties
4562.2
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.26
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor CHEMBL5862 | IC50 | 9.26 | 9.26 | 0.6 | 1 |
Pharmacokinetic Data
| Parameter | Value | Units | Species |
|---|---|---|---|
| AUC | 3286.46 | ng.hr.mL-1 | Rattus norvegicus |
| Cmax | 95.15 | nM | Rattus norvegicus |
| MRT | 7.31 | hr | Rattus norvegicus |
| T1/2 | 5.01 | hr | Rattus norvegicus |
| Tmax | 1.31 | hr | Rattus norvegicus |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Glucagon-like peptide 1 receptor | IC50 | = | 0.55 | nM | 9.26 | Displacement of [125I]exendin-4 from GLP1 receptor in rat RINm5F cells after 2 h... | 19827752 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 19827752 | 10.1021/jm901153x | Rattus norvegicus | 7 |
| 19827752 | 10.1021/jm901153x | Mus musculus | 6 |
| 19827752 | 10.1021/jm901153x | Glucagon-like peptide 1 receptor | 4 |
| 19827752 | 10.1021/jm901153x | Unchecked | 2 |
| 19827752 | 10.1021/jm901153x | Albumin | 1 |
Data from ChEMBL 36 via Core Engine