spiramide
| SMILES | Fc1ccc(cc1)OCCCN1CCC2(CC1)C(=O)NCN2c1ccccc1 |
| InChIKey | FJUKDAZEABGEIH-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 1 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 383.2 |
Drug properties
| Molecular type | Small molecule |
| Physiological/Surrogate | Surrogate |
| Approved drug | No |
Database connections
Bioactivities
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.6 | 7.6 | 7.6 | Guide to Pharmacology |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | Guide to Pharmacology |
| D1 | DRD1 | Mouse | Dopamine | A | pKi | 5.6 | 5.6 | 5.6 | ChEMBL |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.37 | 5.37 | 5.37 | ChEMBL |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.89 | 5.89 | 5.89 | ChEMBL |
| α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.53 | 6.53 | 6.53 | ChEMBL |
| α1D | ADA1D | Human | Adrenoceptors | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
| α2B | ADA2B | Human | Adrenoceptors | A | pKi | 6.53 | 6.53 | 6.53 | ChEMBL |
| α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.12 | 6.12 | 6.12 | ChEMBL |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.88 | 5.88 | 5.88 | ChEMBL |
| β1 | ADRB1 | Human | Adrenoceptors | A | pKi | 5.5 | 5.5 | 5.5 | ChEMBL |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.33 | 8.33 | 8.33 | ChEMBL |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 5.64 | 5.64 | 5.64 | ChEMBL |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.39 | 6.39 | 6.39 | ChEMBL |
| 5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.94 | 5.94 | 5.94 | ChEMBL |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.41 | 6.41 | 6.41 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 7.49 | 7.49 | 7.49 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.82 | 7.82 | 7.82 | ChEMBL |
| κ | OPRK | Human | Opioid | A | pKi | 6.04 | 6.04 | 6.04 | ChEMBL |
| μ | OPRM | Human | Opioid | A | pKi | 6.81 | 6.81 | 6.81 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.02 | 8.27 | 8.52 | ChEMBL |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| GPR183 | GP183 | Human | Orphan | A | pIC50 | 5.32 | 5.32 | 5.32 | ChEMBL |
| β2 | ADRB2 | Human | Adrenoceptors | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 9.5 | 9.5 | 9.5 | ChEMBL |