CHEMBL336161
| SMILES | CS(=O)(=O)Nc1c(O)ccc2c1CCC[C@H]2C1=NCCN1 |
| InChIKey | OQFCXJDXHCDLHX-LLVKDONJSA-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 |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 7.76 | 7.76 | 7.76 | ChEMBL |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKi | 5.99 | 5.99 | 5.99 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 8.65 | 8.65 | 8.65 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1D | ADA1D | Rat | Adrenoceptors | A | pEC50 | 5.99 | 5.99 | 5.99 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pEC50 | 6.73 | 6.73 | 6.73 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pEC50 | 8.28 | 8.28 | 8.28 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 8.25 | 8.25 | 8.25 | ChEMBL |