CHEMBL146246
SMILES | NS(=O)(=O)c1ccc(N2CCN(CCC3OCCc4ccccc43)CC2)cc1 |
InChIKey | WNUQCGWXPNGORO-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 5 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 401.2 |
Drug properties
Molecular type | Small molecule |
Endogenous/Surrogate | Surrogate |
Approved drug | No |
Database connections
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.44 | 8.44 | 8.44 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.29 | 5.29 | 5.29 | ChEMBL |
D3 | DRD3 | Rat | Dopamine | A | pKi | 5.56 | 5.56 | 5.56 | PDSP Ki database |
D1 | DRD1 | Rat | Dopamine | A | pKi | 5.08 | 5.08 | 5.08 | PDSP Ki database |
D4 | DRD4 | Rat | Dopamine | A | pKi | 8.44 | 8.44 | 8.44 | PDSP Ki database |
D2 | DRD2 | Rat | Dopamine | A | pKi | 5.29 | 5.29 | 5.29 | PDSP Ki database |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.46 | 5.46 | 5.46 | PDSP Ki database |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.0 | 5.0 | 5.0 | PDSP Ki database |
5-HT2A | 5HT2A | Rat | 5-Hydroxytryptamine | A | pKi | 5.79 | 5.79 | 5.79 | PDSP Ki database |
H1 | HRH1 | Bovine | Histamine | A | pKi | 5.13 | 5.13 | 5.13 | PDSP Ki database |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |