CHEMBL425012
SMILES | O=S(=O)(NCC1CCC(CNc2ncc3ccccc3n2)CC1)c1ccc(Br)cc1OC(F)(F)F |
InChIKey | BKDDSROSFZKQTN-UHFFFAOYSA-N |
Chemical properties
Hydrogen bond acceptors | 6 |
Hydrogen bond donors | 2 |
Rotatable bonds | 8 |
Molecular weight (Da) | 572.1 |
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 |
Y5 | NPY5R | Human | Neuropeptide Y | A | pIC50 | 7.11 | 7.11 | 7.11 | ChEMBL |
MCH1 | MCHR1 | Human | Melanin-concentrating hormone | A | pIC50 | 5.54 | 5.54 | 5.54 | ChEMBL |
α2A | ADA2A | Human | Adrenoceptors | A | pIC50 | 6.85 | 6.85 | 6.85 | ChEMBL |