Compound Detail
CHEMBL3907272
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CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H](Cc1cnc[nH]1)NC(=O)CNC(=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](CCCNC(=N)N)NC(=O)[C@H](CO)NC(=O)CNC(=O)[C@H](CSCNC(C)=O)NC(=O)[C@H](CO)NC(=O)CN(C)C)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3907272 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | WTPBONCRPLPPQU-YFPYXOLZSA-N |
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
1586.9
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 2 meas. best 8.72
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin-releasing peptide receptor CHEMBL4959 | IC50 | 8.72 | 8.72 | 1.9 | 1 |
| Neuromedin-B receptor CHEMBL4440 | IC50 | 8.7 | 8.7 | 2.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin-releasing peptide receptor | IC50 | = | 1.9 | nM | 8.72 | Displacement of [125I]-BBN from GRPR in human PC3 cells after 1 hr by compuGamma... | - |
| Neuromedin-B receptor | IC50 | = | 2.0 | nM | 8.7 | Displacement of [125I]-NMB from NMB receptor in rat C6 cells | - |
Data from ChEMBL 36 via Core Engine