CHEMBL425574
SMILES | Cc1ccc(NC(=O)c2[nH]c(C3(C)CCCCC3)nc2CCC23CC4CC(CC(C4)C2)C3)cc1C(=O)O |
InChIKey | PZLNPXKYCTZVAW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 3 |
Rotatable bonds | 7 |
Molecular weight (Da) | 503.3 |
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 | Rat | Cholecystokinin | A | pKd | 9.05 | 9.05 | 9.05 | ChEMBL |
CCK2 | GASR | Mouse | Cholecystokinin | A | pKi | 8.48 | 8.48 | 8.48 | ChEMBL |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 6.6 | 6.6 | 6.6 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Dog | Cholecystokinin | A | pIC50 | 7.95 | 7.95 | 7.95 | ChEMBL |