LY-288513
SMILES | Brc1ccc(cc1)NC(=O)N1NC(=O)[C@@H]([C@H]1c1ccccc1)c1ccccc1 |
InChIKey | LMUQHXHWJWQXSD-WOJBJXKFSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 435.1 |
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 |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 4.7 | 4.7 | 4.7 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Mouse | Cholecystokinin | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 7.0 | 7.0 | 7.0 | Guide to Pharmacology |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 5.19 | 5.19 | 5.19 | ChEMBL |