CHEMBL3642129


SMILES C[C@@H]1CC[C@@H](Oc2cc(C#N)ccn2)CN1C(=O)c1cc(Br)ccc1-n1nccn1
InChIKey VSEQFHTWFOJAHR-RHSMWYFYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 466.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 6.58 6.58 6.58 ChEMBL
OX2 OX2R Human Orexin A pKi 8.04 8.04 8.04 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX2 OX2R Rat Orexin A pIC50 7.21 7.21 7.21 ChEMBL
OX1 OX1R Rat Orexin A pIC50 5.99 5.99 5.99 ChEMBL