CHEMBL298521
SMILES | O=C(O)c1cc(NC(=O)[C@H](Cc2ccccc2)NC(=O)c2cc3ccsc3cc2C(=O)NCC23CC4CC(CC(C4)C2)C3)cc(C(=O)O)c1 |
InChIKey | CYGJFXUMPQHGIU-PGPOWNPESA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 5 |
Rotatable bonds | 11 |
Molecular weight (Da) | 679.2 |
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 |
CCK2 | GASR | Mouse | Cholecystokinin | A | pKi | 8.91 | 8.91 | 8.91 | ChEMBL |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 5.65 | 5.65 | 5.65 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |