Compound Detail
CHEMBL438926
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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)CNC(=O)[C@@H](NC(=O)[C@H](C)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](CC(N)=O)NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCSC)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)CNC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)C(C)C)[C@@H](C)O)C(C)C)[C@@H](C)O)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL438926 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | PUBCCFNQJQKCNC-XKNFJVFFSA-N |
3
Targets
3
Activities
1
Assay Types
0
PK Parameters
3
Publications
0
Known Names
Molecular Properties
2859.4
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 3 meas. best 7.47
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin-releasing peptide receptor CHEMBL4959 | EC50 | 7.47 | 7.47 | 34.0 | 1 |
| Neuromedin-B receptor CHEMBL3636 | EC50 | 5.5 | 5.5 | 3200.0 | 1 |
| Bombesin receptor subtype-3 CHEMBL4080 | EC50 | 5.19 | 5.19 | 6400.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin-releasing peptide receptor | EC50 | = | 34.0 | nM | 7.47 | Effective concentration required against gastrin releasing peptide receptor (GRP... | 12723954 |
| Neuromedin-B receptor | EC50 | = | 3200.0 | nM | 5.5 | Effective concentration required against nueromedin B receptor (NMB-R) in CHO ce... | 12723954 |
| Bombesin receptor subtype-3 | EC50 | = | 6400.0 | nM | 5.19 | Effective concentration required against human bombesin receptor 3 (BRS-3) in CH... | 12723954 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 12723954 | 10.1021/jm0210921 | Neuromedin-B receptor | 1 |
| 12723954 | 10.1021/jm0210921 | Gastrin-releasing peptide receptor | 1 |
| 12723954 | 10.1021/jm0210921 | Bombesin receptor subtype-3 | 1 |
Data from ChEMBL 36 via Core Engine