CHEMBL4115403


SMILES O=C(c1ccccc1-n1nccn1)N1[C@H]2CC[C@@H]1C[C@H]2Nc1cnc(C(F)(F)F)cn1
InChIKey OFWIILUUJMRMOZ-XPKDYRNWSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 1
Rotatable bonds 4
Molecular weight (Da) 429.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Rat Orexin A pKi 7.47 7.47 7.47 ChEMBL
OX1 OX1R Human Orexin A pKi 7.52 7.54 7.55 ChEMBL
OX2 OX2R Human Orexin A pKi 6.11 6.13 6.16 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database