L-740093
SMILES | Cc1cccc(c1)NC(=O)N[C@@H]1N=C(N2CC3CCC(C2)CC3)c2c(N(C1=O)C)cccc2 |
InChIKey | QYERABWMFRRINX-XWEVFREBSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 2 |
Molecular weight (Da) | 445.2 |
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 |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 9.2 | 9.2 | 9.2 | Guide to Pharmacology |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 5.79 | 5.79 | 5.8 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 10.0 | 10.0 | 10.0 | ChEMBL |