CHEMBL432671
SMILES | CN1C(=O)[C@H](NC(=O)Nc2cccc(COC(=O)NCNC(=O)CC(=O)NCCSCc3csc(C=C(N)N)n3)c2)N=C(c2ccccc2)c2ccccc21 |
InChIKey | CJNQYXMLTMYGKY-UMSFTDKQSA-N |
Chemical properties
Hydrogen bond acceptors | 12 |
Hydrogen bond donors | 7 |
Rotatable bonds | 15 |
Molecular weight (Da) | 784.3 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
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 | 5.51 | 5.51 | 5.51 | ChEMBL |
CCK2 | GASR | Mouse | Cholecystokinin | A | pIC50 | 7.12 | 7.12 | 7.12 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 8.4 | 8.4 | 8.4 | ChEMBL |