CHEMBL432256
SMILES | Cc1ccccc1NC(=O)NCCCC[C@H](CNC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)OC1C2CC3CC(C2)CC1C3)NC(=O)CCC(=O)O |
InChIKey | MLJPZDPDIBXWNY-PQQAQFJWSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 7 |
Rotatable bonds | 17 |
Molecular weight (Da) | 742.4 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Human | Cholecystokinin | A | pEC50 | 5.6 | 5.6 | 5.6 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 7.7 | 7.7 | 7.7 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pIC50 | 7.92 | 7.92 | 7.92 | ChEMBL |
CCK1 | CCKAR | Human | Cholecystokinin | A | pEC50 | 8.5 | 8.5 | 8.5 | ChEMBL |