CHEMBL2261355
SMILES | CCS(=O)(=O)Nc1cccc2c1CCC[C@H]2c1c[nH]cn1 |
InChIKey | DWUSTUPZNLOYSI-CYBMUJFWSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 4 |
Molecular weight (Da) | 305.1 |
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 |
α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 4.86 | 4.86 | 4.86 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.33 | 7.33 | 7.33 | ChEMBL |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1A | ADA1A | Rabbit | Adrenoceptors | A | pEC50 | 6.77 | 6.77 | 6.77 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pEC50 | 5.42 | 5.42 | 5.42 | ChEMBL |