CHEMBL111554
SMILES | CS(=O)(=O)Nc1cccc2c1CCCC2c1c[nH]cn1 |
InChIKey | FTWWLMPVXHMPNP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 2 |
Rotatable bonds | 3 |
Molecular weight (Da) | 291.1 |
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 |
α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 6.17 | 6.17 | 6.17 | ChEMBL |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 5.33 | 5.33 | 5.33 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.98 | 6.98 | 6.98 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1A | ADA1A | Rabbit | Adrenoceptors | A | pEC50 | 6.35 | 6.35 | 6.35 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pEC50 | 5.29 | 5.29 | 5.29 | ChEMBL |