CHEMBL121624
SMILES | CSc1cccc(NC(=O)NC2C(=O)N(CCC34C[C@H]5C[C@@H](C3)C[C@@H](C4)C5)c3ccccc3N(c3ccccc3)C2=O)c1 |
InChIKey | YUYQHTBNONYSFI-BTUMKIIJSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 7 |
Molecular weight (Da) | 594.3 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 7.22 | 7.22 | 7.22 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |