CHEMBL3771384
SMILES | C=CCOc1cc(F)c(F)cc1C1CC1CN |
InChIKey | RNMADLUWJVACLJ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 2 |
Hydrogen bond donors | 1 |
Rotatable bonds | 5 |
Molecular weight (Da) | 239.1 |
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 |
α2B | ADA2B | Human | Adrenoceptors | A | pKi | 5.81 | 6.12 | 6.42 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 5.55 | 5.55 | 5.55 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.56 | 6.56 | 6.56 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 5.47 | 5.47 | 5.47 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 5.89 | 5.94 | 5.99 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.18 | 6.48 | 6.78 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 6.94 | 6.95 | 6.96 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 7.16 | 7.17 | 7.17 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.54 | 7.55 | 7.57 | ChEMBL |
β2 | ADRB2 | Human | Adrenoceptors | A | pKi | 6.09 | 6.09 | 6.09 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.7 | 6.71 | 6.71 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.03 | 6.08 | 6.12 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.31 | 5.31 | 5.31 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pEC50 | 5.76 | 5.76 | 5.76 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pEC50 | 6.94 | 7.5 | 8.06 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pEC50 | 6.08 | 6.2 | 6.31 | ChEMBL |