CHEMBL3321792
SMILES | OC1(c2ccc(Cl)cc2)CC2CCC(C1)N2CCCSc1ccccc1F |
InChIKey | QHLAPIQLWATZKM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 1 |
Rotatable bonds | 6 |
Molecular weight (Da) | 405.1 |
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 |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 8.09 | 8.09 | 8.09 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.94 | 6.94 | 6.94 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.39 | 5.39 | 5.39 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.32 | 8.32 | 8.32 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 8.89 | 8.89 | 8.89 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT2C | 5HT2C | Rat | 5-Hydroxytryptamine | A | pKi | 5.95 | 5.95 | 5.95 | ChEMBL |
D4 | DRD4 | Rat | Dopamine | A | pKi | 7.57 | 7.57 | 7.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |