CHEMBL1644978
SMILES | OC1(c2ccc(Cl)c(C(F)(F)F)c2)CCN(CCCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
InChIKey | QBWLTDPVSJCLIE-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 8 |
Molecular weight (Da) | 537.2 |
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 |
D5 | DRD5 | Human | Dopamine | A | pKi | 6.28 | 6.28 | 6.28 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.07 | 6.07 | 6.07 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.01 | 6.01 | 6.01 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.42 | 6.42 | 6.42 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 6.1 | 6.1 | 6.1 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.86 | 5.86 | 5.86 | ChEMBL |
δ | OPRD | Human | Opioid | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 6.71 | 6.71 | 6.71 | ChEMBL |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.78 | 5.78 | 5.78 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
κ | OPRK | Human | Opioid | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
μ | OPRM | Human | Opioid | A | pKi | 6.45 | 6.45 | 6.45 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |