CHEMBL343513
SMILES | O=C(Nc1ccc(Cl)cc1)NC1N=C(c2ccccc2)c2ccccc2N(C[C@@H](O)CN2CCCC2)C1=O |
InChIKey | MTFAIDSQJNWDLJ-DCCUJTHKSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 531.2 |
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 | Human | Cholecystokinin | A | pIC50 | 6.52 | 6.52 | 6.52 | ChEMBL |