CHEMBL193639
SMILES | CN(C)C[C@H]1CC2c3ccccc3Sc3ccc(F)cc3[C@H]2O1 |
InChIKey | BSOLCASXROXPRZ-MQSINFNDSA-N |
Chemical properties
Hydrogen bond acceptors | 3 |
Hydrogen bond donors | 0 |
Rotatable bonds | 2 |
Molecular weight (Da) | 329.1 |
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 |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 7.14 | 7.19 | 7.23 | ChEMBL |
5-HT7 | 5HT7R | Human | 5-Hydroxytryptamine | A | pKi | 8.18 | 8.2 | 8.21 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 9.22 | 9.25 | 9.28 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pKi | 7.1 | 7.14 | 7.18 | ChEMBL |
D1 | DRD1 | Human | Dopamine | A | pKi | 8.28 | 8.4 | 8.52 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 9.68 | 9.68 | 9.68 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 7.72 | 8.34 | 8.96 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 9.25 | 9.43 | 9.62 | ChEMBL |
D2 | DRD2 | Human | Dopamine | A | pKi | 8.64 | 8.71 | 8.77 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |