MELPERONE
| SMILES | CC1CCN(CCCC(=O)c2ccc(F)cc2)CC1 |
| InChIKey | DKMFBWQBDIGMHM-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 2 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 5 |
| Molecular weight (Da) | 263.2 |
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-HT7 | 5HT7R | Rat | 5-Hydroxytryptamine | A | pKi | 6.24 | 6.24 | 6.24 | PDSP Ki database |
| D4 | DRD4 | Rat | Dopamine | A | pKi | 6.64 | 6.64 | 6.64 | PDSP Ki database |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 7.49 | 7.5 | 7.5 | PDSP Ki database |
| 5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.68 | 5.82 | 5.9 | PDSP Ki database |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.54 | 6.77 | 6.99 | PDSP Ki database |
| D2 | DRD2 | Human | Dopamine | A | pKi | 6.28 | 7.04 | 8.44 | PDSP Ki database |
| D4 | DRD4 | Human | Dopamine | A | pKi | 6.0 | 6.33 | 6.86 | PDSP Ki database |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 6.7 | 6.7 | 6.7 | PDSP Ki database |
| M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 4.82 | 4.91 | 5.0 | PDSP Ki database |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 5.62 | 5.62 | 5.62 | PDSP Ki database |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 5.36 | 5.36 | 5.36 | PDSP Ki database |
| M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.47 | 5.47 | 5.47 | PDSP Ki database |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.68 | 5.68 | 5.68 | PDSP Ki database |
| H1 | HRH1 | Human | Histamine | A | pKi | 6.24 | 6.24 | 6.24 | PDSP Ki database |
| D3 | DRD3 | Human | Dopamine | A | pKi | 6.8 | 7.45 | 8.31 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.65 | 5.66 | 5.66 | PDSP Ki database |
| 5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | PDSP Ki database |
| 5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.24 | 6.24 | 6.24 | PDSP Ki database |
| M3 | ACM3 | Rat | Acetylcholine (muscarinic) | A | pKi | 4.82 | 4.82 | 4.82 | PDSP Ki database |
| 5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| 5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 8.26 | 8.26 | 8.26 | Drug Central |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| 5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 8.25 | 8.25 | 8.25 | Drug Central |
| M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 8.27 | 8.27 | 8.27 | Drug Central |
| α1A | ADA1A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| α2A | ADA2A | Human | Adrenoceptors | A | pKi | 8.17 | 8.17 | 8.17 | Drug Central |
| D2 | DRD2 | Human | Dopamine | A | pKi | 8.16 | 8.16 | 8.16 | Drug Central |
| D3 | DRD3 | Human | Dopamine | A | pKi | 8.15 | 8.15 | 8.15 | Drug Central |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.19 | 8.19 | 8.19 | Drug Central |
| H1 | HRH1 | Human | Histamine | A | pKi | 8.21 | 8.21 | 8.21 | Drug Central |
| M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
| 5-HT6 | 5HT6R | Rat | 5-Hydroxytryptamine | A | pKi | 5.9 | 5.9 | 5.9 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |