CHEMBL495572
| SMILES | Clc1cccc(N2CCN(CCCCCOc3cc4ccccc4cn3)CC2)c1Cl |
| InChIKey | KPLQQMQZQUMPCN-UHFFFAOYSA-N |
Chemical properties
| Hydrogen bond acceptors | 4 |
| Hydrogen bond donors | 0 |
| Rotatable bonds | 8 |
| Molecular weight (Da) | 443.2 |
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 |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 5.15 | 5.15 | 5.15 | ChEMBL |
| D2 | DRD2 | Rat | Dopamine | A | pKi | 7.12 | 7.12 | 7.12 | ChEMBL |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.75 | 7.75 | 7.75 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.85 | 9.85 | 9.85 | ChEMBL |
| D3 | DRD3 | Human | Dopamine | A | pKi | 9.85 | 9.85 | 9.85 | PDSP Ki database |
| D1 | DRD1 | Rat | Dopamine | A | pKi | 5.15 | 5.15 | 5.15 | PDSP Ki database |
| 5-HT1A | 5HT1A | Rat | 5-Hydroxytryptamine | A | pKi | 7.74 | 7.74 | 7.74 | PDSP Ki database |
| Receptor | Activity | Source | |||||||
|---|---|---|---|---|---|---|---|---|---|
| GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |