CHEMBL227276
SMILES | O=C(CN1N=C(C2CCCCC2)c2ccccc2N(CC(=O)C2CCCC2)C1=O)Nc1cccc(-c2noc(=O)[nH]2)c1 |
InChIKey | DGKMBNVRIZTNTK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 570.3 |
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 |
CCK2 | GASR | Dog | Cholecystokinin | A | pKi | 8.35 | 8.35 | 8.35 | ChEMBL |
CCK2 | GASR | Rat | Cholecystokinin | A | pKd | 8.74 | 8.74 | 8.74 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 9.97 | 9.97 | 9.97 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pKi | 6.33 | 6.33 | 6.33 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |