SB399885
SMILES | COc1ccc(cc1N1CCNCC1)S(=O)(=O)Nc1cc(Cl)cc(c1OC)Cl |
InChIKey | ATKZKAYWARYLBW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 445.1 |
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 |
CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 9.12 | 9.12 | 9.12 | ChEMBL |
CCK2 | GASR | Human | Cholecystokinin | A | pKi | 9.55 | 9.55 | 9.55 | ChEMBL |
CCK2 | GASR | Rat | Cholecystokinin | A | pKi | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
CCK1 | CCKAR | Guinea pig | Cholecystokinin | A | pKi | 9.12 | 9.12 | 9.12 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
CCK2 | GASR | Rat | Cholecystokinin | A | pEC50 | 9.4 | 9.4 | 9.4 | ChEMBL |