L-365260
SMILES | Cc1cccc(c1)NC(=O)NC1N=C(c2ccccc2)c2c(N(C1=O)C)cccc2 |
InChIKey | KDFQABSFVYLGPM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 398.2 |
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 |
CCK2 | GASR | Human | Cholecystokinin | A | pKd | 8.2 | 8.35 | 8.5 | Guide to Pharmacology |
CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 6.13 | 6.13 | 6.13 | PDSP Ki database |
CCK2 | GASR | Mouse | Cholecystokinin | A | pKi | 6.64 | 6.64 | 6.64 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Rat | Cholecystokinin | A | pIC50 | 8.42 | 8.42 | 8.42 | ChEMBL |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 8.09 | 8.09 | 8.09 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 8.15 | 8.31 | 8.51 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pIC50 | 8.4 | 8.4 | 8.4 | Guide to Pharmacology |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 6.6 | 6.6 | 6.6 | Guide to Pharmacology |