CHEMBL3414622
SMILES | O=C([C@@H](Cc1cccc(C(F)(F)F)c1)NS(=O)(=O)c1cc(F)c2c(c1)CCNC2)N1CCCC1 |
InChIKey | JCKGSPAAPQRPBW-OAQYLSRUSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 499.2 |
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 |
BB3 | BRS3 | Human | Bombesin | A | pKi | 5.09 | 5.09 | 5.09 | ChEMBL |
A2B | AA2BR | Human | Adenosine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |