CHEMBL2413522


SMILES COc1c(F)cccc1C(=O)N1C[C@@H](C)CC[C@H]1CNc1ccc(Br)cn1
InChIKey TWCRHJLMMAYSTE-ZFWWWQNUSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 435.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6TOS

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
κ OPRK Human Opioid A pKi 6.5 6.5 6.5 ChEMBL
OX1 OX1R Human Orexin A pKi 8.7 8.7 8.7 ChEMBL
OX2 OX2R Human Orexin A pKi 7.2 7.2 7.2 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database