CHEMBL194173
SMILES | CN(C)c1nc(NCC2CCN(S(=O)(=O)c3ccc(Br)cc3OC(F)(F)F)CC2)nc2ccccc12 |
InChIKey | UHHJLMKELWKRFM-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 7 |
Hydrogen bond donors | 1 |
Rotatable bonds | 7 |
Molecular weight (Da) | 587.1 |
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 | 8.25 | 8.25 | 8.25 | ChEMBL |
MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 5.22 | 5.22 | 5.22 | ChEMBL |
Y5 | NPY5R | Human | Neuropeptide Y | A | pIC50 | 5.52 | 5.52 | 5.52 | ChEMBL |