CHEMBL1940418
SMILES | Fc1ccc(CCCCN2CCN(c3ccccn3)CC2)cc1 |
InChIKey | NSMCYUMPIGJKHV-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 313.2 |
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 | Rat | Dopamine | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.84 | 5.84 | 5.84 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.51 | 6.51 | 6.51 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.05 | 7.05 | 7.05 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.78 | 6.78 | 6.78 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 8.46 | 8.46 | 8.46 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.62 | 6.62 | 6.62 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.07 | 7.07 | 7.07 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 7.3 | 7.3 | 7.3 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.96 | 8.96 | 8.96 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.91 | 6.91 | 6.91 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |