CHEMBL205455
SMILES | CC(C)(C)C(=O)CN1C(=O)N(CC(=O)Nc2cccc(C(=O)O)c2)N=C(C2CCCCC2)c2ccccc21 |
InChIKey | FYFOJUSNDFLZLR-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 518.3 |
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 | 7.91 | 7.91 | 7.91 | ChEMBL |
CCK2 | GASR | Rat | Cholecystokinin | A | pKd | 9.01 | 9.01 | 9.01 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 8.29 | 8.53 | 9.0 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pKi | 4.95 | 4.97 | 5.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |