CHEMBL193438
SMILES | CN(C)c1nc(NCC2CCC(CNS(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |
InChIKey | NWUCPBLQECHRFK-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 2 |
Rotatable bonds | 9 |
Molecular weight (Da) | 615.1 |
Drug properties
Molecular type | Small molecule |
Physiological/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 |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 8.11 | 8.11 | 8.11 | ChEMBL |
MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 6.7 | 6.78 | 6.85 | ChEMBL |
Y5 | NPY5R | Human | Neuropeptide Y | A | pIC50 | 8.57 | 8.57 | 8.57 | ChEMBL |