Compound Detail
CHEMBL4547294
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CCCC[C@H](NC(=O)[C@H](Cc1ccc(OP(=O)(O)O)cc1)NC(=O)[C@H](CC(=O)O)NC(=O)COCCOCCNC(=O)COCCOCCNC(=O)CC[C@H](NC(=O)CCCCCCCCCCCCCCCCC(=O)O)C(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O
Basic Information
| ChEMBL ID | CHEMBL4547294 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | JVCLXDNXAUQCLR-ASNOGBRRSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1823.0
MW (Da)
Drug Information
| Molecule Type | Unknown |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 9.48
IC50 2 meas. best 8.73
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | EC50 | 9.48 | 9.48 | 0.3 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 8.73 | 8.73 | 1.9 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | EC50 | 7.93 | 7.93 | 11.8 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 7.44 | 7.44 | 36.3 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | EC50 | = | 0.3311 | nM | 9.48 | Agonist activity at human CCK2R expressed in human 1321N1 cells assessed as IP1 ... | 30624060 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 1.862 | nM | 8.73 | Displacement of [125I]-CCK-8 from human CCK2R expressed in human 1321N1 cell mem... | 30624060 |
| Cholecystokinin receptor type A | EC50 | = | 11.75 | nM | 7.93 | Agonist activity at human CCK1R expressed in human 1321N1 cells assessed as IP1 ... | 30624060 |
| Cholecystokinin receptor type A | IC50 | = | 36.31 | nM | 7.44 | Displacement of [125I]-CCK-8 from human CCK1R expressed in human 1321N1 cell mem... | 30624060 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 30624060 | 10.1021/acs.jmedchem.8b01558 | Cholecystokinin receptor type A | 2 |
| 30624060 | 10.1021/acs.jmedchem.8b01558 | Gastrin/cholecystokinin type B receptor | 2 |
Data from ChEMBL 36 via Core Engine