CHEMBL515472
SMILES | COc1c(OCCF)cccc1[C@H](O)C1CCN(CCc2ccc(F)cc2)CC1 |
InChIKey | QCFZUTYIUYQTPW-JOCHJYFZSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 1 |
Rotatable bonds | 9 |
Molecular weight (Da) | 405.2 |
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 | 5.17 | 5.17 | 5.17 | ChEMBL |
D5 | DRD5 | Human | Dopamine | A | pKi | 5.13 | 5.13 | 5.13 | ChEMBL |
5-HT1B | 5HT1B | Human | 5-Hydroxytryptamine | A | pKi | 6.05 | 6.05 | 6.05 | ChEMBL |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.97 | 5.97 | 5.97 | ChEMBL |
α1B | ADA1B | Human | Adrenoceptors | A | pKi | 6.3 | 6.3 | 6.3 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 5.62 | 5.62 | 5.62 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 7.23 | 7.23 | 7.23 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.29 | 6.29 | 6.29 | ChEMBL |
D4 | DRD4 | Human | Dopamine | A | pKi | 6.36 | 6.36 | 6.36 | ChEMBL |
α1A | ADA1A | Human | Adrenoceptors | A | pKi | 6.47 | 6.47 | 6.47 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
5-HT6 | 5HT6R | Human | 5-Hydroxytryptamine | A | pKi | 5.42 | 5.42 | 5.42 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.5 | 6.5 | 6.5 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 7.15 | 7.21 | 7.28 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |