Compound Detail
CHEMBL353862
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CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H](C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1cccc2ccccc12)C(N)=O)c1ccccc1
Basic Information
| ChEMBL ID | CHEMBL353862 |
| Phase | Preclinical |
| Structure Type | BOTH |
| InChI Key | RYNRWNJFDSYFLB-TUCRWICHSA-N |
3
Targets
4
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names
Molecular Properties
748.8
MW (Da)
3.79
ALogP
7
HBA
7
HBD
221.8
PSA (Ų)
0.08
QED
2
Ro5 Violations
15
Rot. Bonds
Drug Information
| Molecule Type | Protein |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
Ki 4 meas. best 7.96
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor CHEMBL3508 | Ki | 7.96 | 7.625 | 11.0 | 2 |
| Gastrin/cholecystokinin type B receptor CHEMBL298 | Ki | 7.85 | 7.85 | 14.0 | 1 |
| Cholecystokinin receptor type A CHEMBL3501 | Ki | 5.96 | 5.96 | 1100.0 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Gastrin/cholecystokinin type B receptor | Ki | = | 11.0 | nM | 7.96 | Tested for the inhibition of [3H]pCCK-8 binding to Merk CCK-B antagonist L365,26... | - |
| Gastrin/cholecystokinin type B receptor | Ki | = | 14.0 | nM | 7.85 | Tested for the inhibition of [3H]pCCK-8 to Cholecystokinin type B receptor in gu... | - |
| Gastrin/cholecystokinin type B receptor | Ki | = | 51.0 | nM | 7.29 | Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type B recept... | - |
| Cholecystokinin receptor type A | Ki | = | 1100.0 | nM | 5.96 | Tested for the inhibition of [3H]pCCK-8 binding to Cholecystokinin type A recept... | - |
Literature References
| PubMed | DOI | Target Context | # Activities |
|---|---|---|---|
| - | 10.1016/S0960-894X(00)80678-2 | Gastrin/cholecystokinin type B receptor | 3 |
| - | 10.1016/S0960-894X(00)80678-2 | Cholecystokinin receptor type A | 1 |
Data from ChEMBL 36 via Core Engine