CHEMBL420667
SMILES | CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCCNC(=O)Nc1ccccc1C)C(=O)N[C@@H](CC(=O)O)C(=O)N(C)[C@@H](Cc1ccccc1)C(N)=O |
InChIKey | IHBIJADDDDFNAJ-BBACVFHCSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 8 |
Rotatable bonds | 21 |
Molecular weight (Da) | 796.4 |
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 |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pIC50 | 8.7 | 8.7 | 8.7 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 5.24 | 5.24 | 5.24 | ChEMBL |