CHEMBL516088
SMILES | COc1c(OCCF)cccc1C(=O)C1CCN(CCc2ccc(F)cc2)CC1 |
InChIKey | HVJOIRMQZXEGPW-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 9 |
Molecular weight (Da) | 403.2 |
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 |
5-HT5A | 5HT5A | Human | 5-Hydroxytryptamine | A | pKi | 5.8 | 5.8 | 5.8 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 5.66 | 5.66 | 5.66 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 6.15 | 6.15 | 6.15 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.26 | 6.26 | 6.26 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.48 | 6.48 | 6.48 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 5.75 | 5.75 | 5.75 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 6.68 | 6.68 | 6.68 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.03 | 6.03 | 6.03 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.76 | 6.76 | 6.76 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.84 | 6.84 | 6.84 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 6.06 | 6.06 | 6.06 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 6.89 | 6.89 | 6.89 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 5.77 | 5.77 | 5.77 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.13 | 5.13 | 5.13 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |