CCX354
SMILES | COc1cc(ccc1Cl)N1CCN(CC1)C(=O)Cn1[nH]c(=C2N=CC=N2)c2c1nccc2 |
InChIKey | WSVDLXWYJRCDBZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 8 |
Hydrogen bond donors | 1 |
Rotatable bonds | 4 |
Molecular weight (Da) | 451.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/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 | 6.24 | 6.24 | 6.24 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Rat | Cholecystokinin | A | pIC50 | 5.21 | 5.21 | 5.21 | ChEMBL |
CCK1 | CCKAR | Rat | Cholecystokinin | A | pIC50 | 7.64 | 7.64 | 7.64 | ChEMBL |