vilazodone
| SMILES | N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)N)c[nH]2 |
| InChIKey | SGEGOXDYSFKCPT-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 5 |
| Hydrogen bond donors | 2 |
| Rotatable bonds | 7 |
| Molecular weight (Da) | 441.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | Yes |
Database connections
| Structure pdb | 8FYL |
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 9.7 | 9.7 | 9.7 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.43 | 6.43 | 6.43 | ChEMBL |
| 5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.91 | 5.91 | 5.91 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 5.54 | 5.54 | 5.54 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.41 | 5.75 | 6.1 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.44 | 6.44 | 6.44 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.08 | 6.08 | 6.08 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.5 | 8.46 | 9.7 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.88 | 6.88 | 6.88 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.18 | 6.22 | 6.26 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.01 | 8.01 | 8.01 | Drug Central |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 9.52 | 9.52 | 9.52 | Guide to Pharmacology |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.6 | 6.6 | 6.6 | Guide to Pharmacology |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 6.18 | 6.18 | 6.18 | Guide to Pharmacology |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 7.15 | 7.15 | 7.15 | Guide to Pharmacology |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 6.5 | 6.5 | 6.5 | Guide to Pharmacology |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| D4 | DRD4 | Rat | Dopamine | A | pIC50 | 5.47 | 5.47 | 5.47 | ChEMBL |
| FPR3 | FPR3 | Human | Formylpeptide | A | pIC50 | 5.12 | 5.12 | 5.12 | ChEMBL |
| GPR183 | GP183 | Human | Orphan | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pIC50 | 6.6 | 6.6 | 6.6 | ChEMBL |
| D3 | DRD3 | Rat | Dopamine | A | pIC50 | 7.15 | 7.15 | 7.15 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 5.3 | 5.3 | 5.3 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 6.18 | 6.6 | 7.02 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.36 | 8.94 | 9.52 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pEC50 | 8.99 | 9.49 | 9.92 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 9.7 | 9.83 | 9.96 | ChEMBL |
| D4 | DRD4 | Rat | Dopamine | A | pIC50 | 8.26 | 8.26 | 8.26 | Drug Central |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| D3 | DRD3 | Rat | Dopamine | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| 5-HT4 | 5HT4R | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.18 | 8.18 | 8.18 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pIC50 | 8.21 | 8.21 | 8.21 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pIC50 | 8.15 | 8.15 | 8.15 | Drug Central |
| 5-HT4 | 5HT4R | Human | 5-Hydroxytryptamine | A | pIC50 | 8.18 | 8.18 | 8.18 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pIC50 | 8.19 | 8.19 | 8.19 | Drug Central |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.24 | 8.24 | 8.24 | Drug Central |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.02 | 8.02 | 8.02 | Drug Central |
| 5-HT1B | 5HT1B | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.28 | 8.28 | 8.28 | Drug Central |
| 5-HT1D | 5HT1D | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.27 | 8.27 | 8.27 | Drug Central |
| 5-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.26 | 8.26 | 8.26 | Drug Central |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pIC50 | 8.26 | 8.26 | 8.26 | Drug Central |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 8.21 | 8.21 | 8.21 | Drug Central |