CHEMBL519609
SMILES | CCN(CC)CCCOC(=O)N1c2ccccc2Sc2ccccc21 |
InChIKey | FPUKGJMTLUQGFZ-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 4 |
Hydrogen bond donors | 0 |
Rotatable bonds | 6 |
Molecular weight (Da) | 356.2 |
Drug properties
Molecular type | Small molecule |
Physiological/Surrogate | Surrogate |
Approved drug | No |
Database connections
Sankey plot
Compound is not listed as a drug.
Bioactivities
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
5-HT1D | 5HT1D | Human | 5-Hydroxytryptamine | A | pKi | 5.57 | 5.57 | 5.57 | ChEMBL |
M5 | ACM5 | Human | Acetylcholine (muscarinic) | A | pKi | 6.92 | 6.92 | 6.92 | ChEMBL |
α2C | ADA2C | Human | Adrenoceptors | A | pKi | 6.22 | 6.22 | 6.22 | ChEMBL |
H2 | HRH2 | Human | Histamine | A | pKi | 5.85 | 5.85 | 5.85 | ChEMBL |
M4 | ACM4 | Human | Acetylcholine (muscarinic) | A | pKi | 7.68 | 7.68 | 7.68 | ChEMBL |
H1 | HRH1 | Human | Histamine | A | pKi | 6.37 | 6.37 | 6.37 | ChEMBL |
M3 | ACM3 | Human | Acetylcholine (muscarinic) | A | pKi | 6.77 | 6.77 | 6.77 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pKi | 6.2 | 6.2 | 6.2 | ChEMBL |
H3 | HRH3 | Human | Histamine | A | pKi | 6.02 | 6.02 | 6.02 | ChEMBL |
M2 | ACM2 | Human | Acetylcholine (muscarinic) | A | pKi | 6.66 | 6.66 | 6.66 | ChEMBL |
5-HT2C | 5HT2C | Human | 5-Hydroxytryptamine | A | pKi | 5.51 | 5.51 | 5.51 | ChEMBL |
M1 | ACM1 | Human | Acetylcholine (muscarinic) | A | pKi | 7.19 | 7.19 | 7.19 | ChEMBL |
D3 | DRD3 | Human | Dopamine | A | pKi | 6.0 | 6.0 | 6.0 | ChEMBL |
5-HT2A | 5HT2A | Human | 5-Hydroxytryptamine | A | pKi | 5.44 | 5.44 | 5.44 | ChEMBL |
5-HT1A | 5HT1A | Human | 5-Hydroxytryptamine | A | pKi | 6.35 | 6.35 | 6.35 | ChEMBL |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |