CHEMBL304524
SMILES | CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NC(CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H](Cc1ccc(C)cc1)C(N)=O |
InChIKey | XRBLIXGNWKRKTC-NZTROBLZSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 9 |
Rotatable bonds | 20 |
Molecular weight (Da) | 782.4 |
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 | Human | Cholecystokinin | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |