NS-49
| SMILES | NC[C@@H](c1cc(ccc1F)NS(=O)(=O)C)O |
| InChIKey | XYLJNMCMDOOJRW-VIFPVBQESA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 248.1 |
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 | Human | Adrenoceptors | A | pKi | 5.1 | 5.1 | 5.1 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 5.4 | 5.4 | 5.4 | Guide to Pharmacology |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.2 | 6.2 | 6.2 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 4.95 | 4.95 | 4.95 | ChEMBL |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 6.5 | 6.65 | 6.8 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pEC50 | 5.7 | 5.7 | 5.7 | ChEMBL |