Compound Detail
CHEMBL5089388
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CSCC[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](CO)NC(=O)CNC(=O)[C@H](CCC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1cnc[nH]1)C(C)C)C(=O)N[C@@H](CO)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](CCCCN)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](CC(C)C)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(C)C)C(C)C)C(C)C
Basic Information
| ChEMBL ID | CHEMBL5089388 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | POXYYUCJPKWULA-UXDGKVKASA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
3362.9
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 3 meas. best 10.94
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| RAW264.7 CHEMBL612557 | IC50 | 10.94 | 10.94 | 0.0 | 1 |
| Glucagon-like peptide 2 receptor CHEMBL5844 | IC50 | 10.15 | 10.15 | 0.1 | 1 |
| Gastric inhibitory polypeptide receptor CHEMBL4383 | IC50 | 7.42 | 7.42 | 37.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| RAW264.7 | IC50 | = | 0.0116 | nM | 10.94 | Inhibition of RANKL-induced osteoclastogenesis in mouse RAW264.7 cells measured ... | - |
| Glucagon-like peptide 2 receptor | IC50 | = | 0.07 | nM | 10.15 | Binding affinity towards GLP-2 receptor in human HEK293 cells measured by fluore... | - |
| Gastric inhibitory polypeptide receptor | IC50 | = | 37.85 | nM | 7.42 | Binding affinity towards GIP receptor in human HEK293 cells measured by fluoresc... | - |
Data from ChEMBL 36 via Core Engine