CHEMBL323402
SMILES | Nc1cccc2c1CCCC2c1c[nH]cn1 |
InChIKey | YBZJNASHMOQSEV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 2 |
Rotatable bonds | 1 |
Molecular weight (Da) | 213.1 |
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 | 7.31 | 7.31 | 7.31 | ChEMBL |
α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 6.86 | 6.86 | 6.86 | ChEMBL |
α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 6.72 | 6.72 | 6.72 | ChEMBL |
α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.14 | 7.14 | 7.14 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1A | ADA1A | Rabbit | Adrenoceptors | A | pEC50 | 6.56 | 6.56 | 6.56 | ChEMBL |
α1B | ADA1B | Rat | Adrenoceptors | A | pEC50 | 6.01 | 6.01 | 6.01 | ChEMBL |