CHEMBL325516
SMILES | O=C(OCCc1ccc(F)cc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
InChIKey | NEUFWHZAVWYYSZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 496.2 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
D5 | DRD5 | Human | Dopamine | A | pIC50 | 5.81 | 5.81 | 5.81 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pIC50 | 5.9 | 5.9 | 5.9 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 6.14 | 6.14 | 6.14 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 5.89 | 5.89 | 5.89 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.47 | 6.47 | 6.47 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.82 | 5.82 | 5.82 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.46 | 5.46 | 5.46 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.34 | 6.34 | 6.34 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.97 | 5.97 | 5.97 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.94 | 5.94 | 5.94 | ChEMBL |
A3 | AA3R | Human | Adenosine | A | pIC50 | 5.38 | 5.38 | 5.38 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.37 | 5.37 | 5.37 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pIC50 | 5.58 | 5.58 | 5.58 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.4 | 5.4 | 5.4 | ChEMBL |