CHEMBL359076
| SMILES | C[C@H]1CCCCC1OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)N[C@H](CNC(=O)/C=C/C(=O)O)Cc1ccccc1 |
| InChIKey | JYZAMOIPPVMSMJ-WSWYWFPUSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 5 |
| Rotatable bonds | 12 |
| Molecular weight (Da) | 588.3 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| CCK2 | GASR | Mouse | Cholecystokinin | A | pIC50 | 8.92 | 8.92 | 8.92 | ChEMBL |
| CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 6.81 | 6.81 | 6.81 | ChEMBL |