Compound Detail
CHEMBL4761587
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CCCC[C@@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)N(C)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)NC(=O)[C@@H](CCC(=O)O)NC(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1
Basic Information
| ChEMBL ID | CHEMBL4761587 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | LGRZRSVGTUGTLW-KFRGQKCISA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
1
Publications
0
Known Names
Molecular Properties
1449.6
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 9.4
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 9.4 | 9.4 | 0.4 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | IC50 | = | 0.4 | nM | 9.4 | Displacement of [125I][3-iodo Tyr12,Leu15]gastrin-I from human CCK2R expressed i... | 33226806 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 33226806 | 10.1021/acs.jmedchem.0c01233 | Gastrin/cholecystokinin type B receptor | 1 |
Data from ChEMBL 36 via Core Engine