CHEMBL117537
SMILES | O=C(CCCc1ccccc1)N1CCN(CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1 |
InChIKey | VGBOISIRCIDEGP-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 0 |
Rotatable bonds | 10 |
Molecular weight (Da) | 476.3 |
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 |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pIC50 | 5.26 | 5.26 | 5.26 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pIC50 | 5.73 | 5.73 | 5.73 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.67 | 5.67 | 5.67 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pIC50 | 5.71 | 5.71 | 5.71 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pIC50 | 6.55 | 6.55 | 6.55 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pIC50 | 5.56 | 5.56 | 5.56 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pIC50 | 5.11 | 5.11 | 5.11 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pIC50 | 5.39 | 5.39 | 5.39 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pIC50 | 6.12 | 6.12 | 6.12 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pIC50 | 6.02 | 6.02 | 6.02 | ChEMBL |
δ | OPRD | Human | Opioid | A | pIC50 | 5.43 | 5.43 | 5.43 | ChEMBL |
κ | OPRK | Human | Opioid | A | pIC50 | 5.67 | 5.67 | 5.67 | ChEMBL |
μ | OPRM | Human | Opioid | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pIC50 | 5.7 | 5.7 | 5.7 | ChEMBL |