doxazosin
| SMILES | COc1cc2nc([nH]c(=N)c2cc1OC)N1CCN(CC1)C(=O)C1COc2c(O1)cccc2 |
| InChIKey | RUZYUOTYCVRMRZ-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 8 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 4 |
| Molecular weight (Da) | 451.2 |
Drug properties
| Molecular type | Small molecule |
| Endogenous/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.5 | 8.8 | 9.1 | Guide to Pharmacology |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.3 | 8.7 | 9.1 | Guide to Pharmacology |
| α1D | ADA1D | Rat | Adrenoceptors | A | pKd | 8.97 | 8.97 | 8.97 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKd | 9.51 | 9.51 | 9.51 | ChEMBL |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 9.38 | 9.38 | 9.38 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.0 | 9.1 | 9.2 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 6.9 | 6.9 | 6.9 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKd | 8.69 | 8.69 | 8.69 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pKi | 9.2 | 9.2 | 9.2 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.55 | 6.55 | 6.55 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.5 | 8.95 | 9.27 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKd | 7.59 | 7.59 | 7.59 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.4 | 8.96 | 9.49 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.63 | 6.63 | 6.63 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.72 | 5.72 | 5.72 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.54 | 6.54 | 6.54 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 9.0 | 9.0 | 9.0 | PDSP Ki database |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.5 | 8.5 | 8.5 | PDSP Ki database |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.06 | 8.06 | 8.06 | Drug Central |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 8.04 | 8.04 | 8.04 | Drug Central |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 8.05 | 8.05 | 8.05 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 8.18 | 8.18 | 8.18 | Drug Central |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 8.24 | 8.24 | 8.24 | Drug Central |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| α1B | ADA1B | Rat | Adrenoceptors | A | pKi | 8.03 | 8.03 | 8.03 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.6 | 8.95 | 9.3 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1B | ADA1B | Rat | Adrenoceptors | A | pIC50 | 9.12 | 9.12 | 9.12 | ChEMBL |
| 5-HT4 | 5HT4R | Guinea pig | 5-Hydroxytryptamine | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.81 | 8.97 | 9.13 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 8.47 | 8.47 | 8.47 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 6.43 | 6.43 | 6.43 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.56 | 5.56 | 5.56 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 6.26 | 6.26 | 6.26 | ChEMBL |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.06 | 8.06 | 8.06 | Drug Central |