WY 27127
SMILES | CS(=O)(=O)NCCN(C1CCN2CCC3=CC=CC=C3C2C1)S(=O)(=O)C |
InChIKey | VSQCTWPNMPWYSD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 401.1 |
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 |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.96 | 7.96 | 7.96 | PDSP Ki database |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 9.25 | 9.25 | 9.25 | PDSP Ki database |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 8.28 | 8.28 | 8.28 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |