silodosin
| SMILES | OCCCN1CCc2c1c(cc(c2)C[C@H](NCCOc1ccccc1OCC(F)(F)F)C)C(=O)N |
| InChIKey | PNCPYILNMDWPEY-QGZVFWFLSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 3 |
| Rotatable bonds | 13 |
| Molecular weight (Da) | 495.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Ligand site mutations | α1A |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.5 | 7.1 | 7.7 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.9 | 7.8 | 8.7 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.7 | 7.7 | 7.7 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.7 | 8.7 | 8.7 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 10.4 | 10.42 | 10.44 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.98 | 7.98 | 7.98 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.11 | 8.11 | 8.11 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.6 | 10.0 | 10.4 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 7.04 | 7.04 | 7.04 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 6.27 | 6.61 | 6.94 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 9.1 | 9.1 | 9.1 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 7.56 | 7.88 | 8.2 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 8.72 | 8.73 | 8.74 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.04 | 8.04 | 8.04 | Drug Central |