CHEMBL1940404
SMILES | OC1(c2ccc(Cl)cc2)CCN(CCCOc2ccc(F)cc2)CC1 |
InChIKey | JPTSMZMSIACDAD-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 363.1 |
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 | Rat | Dopamine | A | pKi | 8.37 | 8.49 | 8.62 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.99 | 6.99 | 6.99 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.18 | 6.18 | 6.18 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.16 | 6.16 | 6.16 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 7.66 | 7.66 | 7.66 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 5.79 | 5.79 | 5.79 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.74 | 7.03 | 7.31 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.03 | 7.08 | 7.14 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.81 | 7.13 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.06 | 8.44 | 8.97 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKd | 9.1 | 9.1 | 9.1 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |