CHEMBL116735
SMILES | O=C(CCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
InChIKey | MUAYITOFLINYIL-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 480.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D5 | DRD5 | Human | Dopamine | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pIC50 | 5.87 | 5.87 | 5.87 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.93 | 5.93 | 5.93 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.14 | 6.14 | 6.14 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.87 | 5.87 | 5.87 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.01 | 6.01 | 6.01 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.99 | 5.99 | 5.99 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.96 | 5.96 | 5.96 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 5.03 | 5.03 | 5.03 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 5.29 | 5.29 | 5.29 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.55 | 5.55 | 5.55 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.44 | 5.44 | 5.44 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 5.78 | 5.78 | 5.78 | ChEMBL |