A61603
| SMILES | Oc1ccc2c(c1NS(=O)(=O)C)CCCC2C1=NCCN1 |
| InChIKey | OQFCXJDXHCDLHX-UHFFFAOYSA-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 |
| Endogenous/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 | 6.61 | 6.61 | 6.61 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 7.52 | 7.52 | 7.52 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 5.82 | 5.84 | 5.87 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.48 | 7.48 | 7.48 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.92 | 7.95 | 8.05 | ChEMBL |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 5.53 | 5.57 | 5.68 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 7.8 | 8.1 | 8.4 | Guide to Pharmacology |
| α1A | ADA1A | Rabbit | Adrenoceptors | A | pEC50 | 8.03 | 8.03 | 8.03 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pEC50 | 5.58 | 5.59 | 5.59 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 7.66 | 7.84 | 8.03 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pEC50 | 6.5 | 6.5 | 6.5 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pEC50 | 8.24 | 8.24 | 8.24 | ChEMBL |