Compound Detail
CHEMBL525577
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CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](C)NC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](N)Cc1ccccc1)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL525577 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | GMEWMQLWXBFPOI-ZJZDTXIUSA-N |
3
Targets
6
Activities
2
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
1117.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 10.22
Ki 3 meas. best 9.44
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin-releasing peptide receptor CHEMBL4959 | EC50 | 10.22 | 10.22 | 0.1 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | Ki | 9.44 | 9.44 | 0.4 | 1 |
| Neuromedin-B receptor CHEMBL3636 | EC50 | 9.26 | 9.26 | 0.6 | 1 |
| Gastrin-releasing peptide receptor CHEMBL4959 | Ki | 9.0 | 9.0 | 1.0 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 8.41 | 8.41 | 3.9 | 1 |
| Neuromedin-B receptor CHEMBL3636 | Ki | 8.05 | 8.05 | 8.9 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin-releasing peptide receptor | EC50 | = | 0.06 | nM | 10.22 | Agonist activity at recombinant gastrin releasing peptide receptor expressed in ... | 18818070 |
| Bombesin receptor subtype-3 | Ki | = | 0.36 | nM | 9.44 | Binding affinity to BRS-3 receptor | 18818070 |
| Neuromedin-B receptor | EC50 | = | 0.55 | nM | 9.26 | Agonist activity at recombinant neuromedin B receptor expressed in baculovirus-t... | 18818070 |
| Gastrin-releasing peptide receptor | Ki | = | 0.99 | nM | 9.0 | Binding affinity to gastrin releasing peptide receptor | 18818070 |
| Bombesin receptor subtype-3 | EC50 | = | 3.9 | nM | 8.41 | Agonist activity at recombinant BRS-3 receptor expressed in baculovirus-transduc... | 18818070 |
| Neuromedin-B receptor | Ki | = | 8.9 | nM | 8.05 | Binding affinity to neuromedin B receptor | 18818070 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 18818070 | 10.1016/j.bmcl.2008.09.033 | Bombesin receptor subtype-3 | 2 |
| 18818070 | 10.1016/j.bmcl.2008.09.033 | Gastrin-releasing peptide receptor | 2 |
| 18818070 | 10.1016/j.bmcl.2008.09.033 | Neuromedin-B receptor | 2 |
Data from ChEMBL 36 via Core Engine