CHEMBL4061793
SMILES | O=S(=O)(Nc1nccs1)c1cc(Cl)c(NCC23CCCN2CCC3)cc1F |
InChIKey | XFWKBJBSEOZBRA-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 6 |
Molecular weight (Da) | 430.1 |
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 |
Receptor | Activity | Source | |||||||
---|---|---|---|---|---|---|---|---|---|
GTP | Uniprot | Species | Family | Class | Type | Min | Avg | Max | Database |
α1D | ADA1D | Human | Adrenoceptors | A | pIC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
α2B | ADA2B | Human | Adrenoceptors | A | pIC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 5.1 | 5.1 | 5.1 | ChEMBL |
5-HT2B | 5HT2B | Human | 5-Hydroxytryptamine | A | pIC50 | 5.42 | 5.42 | 5.42 | ChEMBL |