Compound Detail
CHEMBL3401466
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CC(C)C[C@H](NC(=O)C[C@H](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](Cc1ccccc1)NC(=O)CN1CCC(NC(=O)Cn2cc(C[N+](C)(C)C[B-](F)(F)F)nn2)CC1)C(C)C)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL3401466 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JMALEARASUKGMG-JDVXICTGSA-N |
1
Targets
2
Activities
2
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1501.5
MW (Da)
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.22
Ki 1 meas. best 9.3
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin-releasing peptide receptor CHEMBL4959 | Ki | 9.3 | 9.3 | 0.5 | 1 |
| Gastrin-releasing peptide receptor CHEMBL4959 | IC50 | 9.22 | 9.22 | 0.6 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin-releasing peptide receptor | Ki | = | 0.5 | nM | 9.3 | Displacement of [125I-Tyr4]bombesin from GRPR (unknown origin) expressed in huma... | 25757604 |
| Gastrin-releasing peptide receptor | IC50 | = | 0.6 | nM | 9.22 | Displacement of [125I-Tyr4]bombesin from GRPR (unknown origin) expressed in huma... | 25757604 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 25757604 | 10.1016/j.bmc.2015.02.009 | Gastrin-releasing peptide receptor | 2 |
Data from ChEMBL 36 via Core Engine