CHEMBL133451
SMILES | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@@H]2C1=NCCN1 |
InChIKey | OQFCXJDXHCDLHX-NSHDSACASA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 3 |
Rotatable bonds | 3 |
Molecular weight (Da) | 309.1 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Structure pdb | 8THK |
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 4.76 | 4.76 | 4.76 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1A | ADA1A | Rat | Adrenoceptors | A | pEC50 | 4.51 | 4.51 | 4.51 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 4.61 | 4.61 | 4.61 | ChEMBL |