tamsulosin
| SMILES | CCOc1ccccc1OCCN[C@@H](Cc1ccc(c(c1)S(=O)(=O)N)OC)C |
| InChIKey | DRHKJLXJIQTDTD-OAHLLOKOSA-N |
Chemical properties
| Hydrogen bond acceptors | 6 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 11 |
| Molecular weight (Da) | 408.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 9.4 | 10.05 | 10.7 | Guide to Pharmacology |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.1 | 8.9 | 9.7 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.2 | 9.7 | 10.2 | Guide to Pharmacology |
| α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 7.1 | 7.63 | 8.17 | ChEMBL |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 9.7 | 9.7 | 9.7 | ChEMBL |
| α1A | ADA1A | Rabbit | Adrenoceptors | A | pKd | 9.8 | 9.8 | 9.8 | ChEMBL |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 9.9 | 9.9 | 9.9 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 9.69 | 9.69 | 9.69 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 7.0 | 8.67 | 9.21 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 9.47 | 9.47 | 9.47 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.89 | 10.21 | 10.52 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.1 | 9.65 | 10.24 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.08 | 7.08 | 7.08 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.4 | 9.75 | 10.54 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKd | 9.54 | 9.54 | 9.54 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.2 | 7.54 | 7.87 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.55 | 9.55 | 9.55 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.1 | 9.1 | 9.1 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 7.11 | 7.5 | 7.89 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.7 | 8.83 | 9.22 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 9.7 | 9.88 | 10.54 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 7.98 | 7.98 | 7.98 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 7.99 | 7.99 | 7.99 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.1 | 8.1 | 8.1 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.02 | 8.02 | 8.02 | Drug Central |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 7.98 | 7.98 | 7.98 | Drug Central |
| α2B | ADA2B | Rat | Adrenoceptors | A | pKi | 8.09 | 8.09 | 8.09 | Drug Central |
| α1B | ADA1B | Golden hamster | Adrenoceptors | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| α1A | ADA1A | Bovine | Adrenoceptors | A | pKi | 8.0 | 8.0 | 8.0 | Drug Central |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pIC50 | 8.32 | 8.35 | 8.38 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pEC50 | 9.89 | 9.89 | 9.89 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 8.85 | 9.34 | 9.82 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pEC50 | 10.15 | 10.15 | 10.15 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pIC50 | 8.66 | 9.07 | 9.49 | ChEMBL |