CHEMBL112682
SMILES | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cc(O)c2cccc(O)c2n1 |
InChIKey | BYIBEZIVVZSAAH-AREMUKBSSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 4 |
Rotatable bonds | 13 |
Molecular weight (Da) | 530.3 |
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 |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pIC50 | 7.68 | 7.68 | 7.68 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |