CHEMBL344220
SMILES | COC(=O)C1(NC(=O)[C@@](C)(Cc2c[nH]c3ccccc23)NC(=O)OC2C3CC4CC(C3)CC2C4)CCCCC1 |
InChIKey | QPMVKCGOVAJPQD-NLEJNHMSSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 535.3 |
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 | Mouse | Cholecystokinin | A | pIC50 | 6.72 | 6.72 | 6.72 | ChEMBL |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |