CHEMBL321265
SMILES | CCCCCN(CCCCC)C(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)Nc1ccc(Cl)cc1 |
InChIKey | MISMTJZRIUCAFB-AREMUKBSSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 3 |
Rotatable bonds | 13 |
Molecular weight (Da) | 496.3 |
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 | Human | Cholecystokinin | A | pIC50 | 5.25 | 5.25 | 5.25 | ChEMBL |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |