CHEMBL436253
SMILES | CCCC[C@H](N[C@H](C#N)[C@H](Cc1c[nH]c2ccccc12)NC(=O)OCc1ccccc1)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc1ccccc1)C(N)=O |
InChIKey | CNLSXJCDLVTJMM-PJRHAEEISA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 7 |
Rotatable bonds | 20 |
Molecular weight (Da) | 723.3 |
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 | Rat | Cholecystokinin | A | pIC50 | 7.83 | 7.83 | 7.83 | ChEMBL |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 5.77 | 5.77 | 5.77 | ChEMBL |