CHEMBL4865907
SMILES | CN1CCN(Cc2ccc(OCCCN3CCC(c4noc5cc(F)ccc45)CC3)cc2)CC1 |
InChIKey | MVVKKFHFADVKMW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 0 |
Rotatable bonds | 8 |
Molecular weight (Da) | 466.3 |
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 |
H1 | HRH1 | Human | Histamine | A | pKi | 6.14 | 6.14 | 6.14 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 7.03 | 7.03 | 7.03 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 8.09 | 8.09 | 8.09 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.24 | 6.24 | 6.24 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.63 | 7.63 | 7.63 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 8.33 | 8.33 | 8.33 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 7.92 | 7.92 | 7.92 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.77 | 8.77 | 8.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |