CHEMBL389711
SMILES | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2ccc3ccn(CC(=O)O)c3c2)N=C(C2CCCCC2)c2ccccc21 |
InChIKey | NMRHHKUTBQFJAA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 571.3 |
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 | 8.62 | 8.62 | 8.62 | ChEMBL |
CCK2 | GASR | Rat | Cholecystokinin | A | pKd | 9.07 | 9.07 | 9.07 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 9.53 | 9.53 | 9.53 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |