CHEMBL30656
SMILES | Cc1cccc(NC(=O)NC2N=C(c3cccc(OCC(=O)NCC(=O)NCCSCc4csc(N=C(N)N)n4)c3)c3ccccc3N(C)C2=O)c1 |
InChIKey | SQOFWEYFVZRPBW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 10 |
Hydrogen bond donors | 6 |
Rotatable bonds | 14 |
Molecular weight (Da) | 742.2 |
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 |
H2 | HRH2 | Rat | Histamine | A | pKd | 6.0 | 6.0 | 6.0 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK1 | CCKAR | Mouse | Cholecystokinin | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
CCK2 | GASR | Mouse | Cholecystokinin | A | pIC50 | 6.51 | 6.51 | 6.51 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |