[3H]N-methylspiperone
| SMILES | Fc1ccc(cc1)C(=O)CCCN1CCC2(CC1)N(CN(C2=O)C)c1ccccc1 |
| InChIKey | QHJLPOSPWKZACG-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 6 |
| Molecular weight (Da) | 409.2 |
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 |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 10.7 | 10.7 | 10.7 | Guide to Pharmacology |
| 5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKd | 9.1 | 9.1 | 9.1 | Guide to Pharmacology |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 9.93 | 9.93 | 9.93 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKd | 10.01 | 10.01 | 10.01 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKd | 8.52 | 8.92 | 9.32 | ChEMBL |
| D4 | DRD4 | Human | Dopamine | A | pKi | 8.82 | 8.84 | 8.85 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.58 | 9.58 | 9.58 | ChEMBL |
| 5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.06 | 8.06 | 8.06 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKd | 10.01 | 10.1 | 10.15 | ChEMBL |
| D2 | DRD2 | Human | Dopamine | A | pKi | 9.34 | 9.52 | 9.88 | ChEMBL |
| D4 | DRD4 | Rat | Dopamine | A | pKi | 9.5 | 9.5 | 9.5 | Guide to Pharmacology |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
| α1A | ADA1A | Rat | Adrenoceptors | A | pIC50 | 8.0 | 8.0 | 8.0 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pIC50 | 9.64 | 9.64 | 9.64 | ChEMBL |