Compound Detail
CHEMBL375360
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CSCC[C@H](NC(=O)[C@H](Cc1ccc(OS(=O)(=O)O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(=O)O
Basic Information
| ChEMBL ID | CHEMBL375360 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | SDJPEEZPMPFEON-YRVFCXMDSA-N |
2
Targets
4
Activities
2
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
1144.3
MW (Da)
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
EC50 2 meas. best 7.57
IC50 2 meas. best 7.57
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL298 | EC50 | 7.57 | 7.57 | 27.0 | 1 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | IC50 | 7.57 | 7.57 | 26.9 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | EC50 | 7.55 | 7.55 | 28.0 | 1 |
| Cholecystokinin receptor type A CHEMBL1901 | IC50 | 7.55 | 7.55 | 28.2 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | EC50 | = | 27.0 | nM | 7.57 | Activity at human CCK2 receptor expressed in HEK293 cells assessed as level of [... | 17201419 |
| Gastrin/cholecystokinin type B receptor | IC50 | = | 26.92 | nM | 7.57 | Activity at human CCK2 receptor expressed in HEK293 cells assessed as level of [... | 17201419 |
| Cholecystokinin receptor type A | EC50 | = | 28.0 | nM | 7.55 | Activity at human CCK1 receptor expressed in HEK293 cells assessed as level of [... | 17201419 |
| Cholecystokinin receptor type A | IC50 | = | 28.18 | nM | 7.55 | Activity at human CCK1 receptor expressed in HEK293 cells assessed as level of [... | 17201419 |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| 17201419 | 10.1021/jm061268p | Cholecystokinin receptor type A | 3 |
| 17201419 | 10.1021/jm061268p | Gastrin/cholecystokinin type B receptor | 3 |
Data from ChEMBL 36 via Core Engine