CHEMBL3642118


SMILES Cc1cccc(C(=O)N2C[C@H](Oc3cc(C#N)ccn3)CC[C@H]2C)c1-n1nccn1
InChIKey QACHRKPZIJHNHU-SJLPKXTDSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 4
Molecular weight (Da) 402.2

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
OX1 OX1R Human Orexin A pKi 6.17 6.17 6.17 ChEMBL
OX2 OX2R Human Orexin A pKi 8.52 8.52 8.52 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Rat Orexin A pIC50 5.63 5.63 5.63 ChEMBL
OX2 OX2R Rat Orexin A pIC50 7.77 7.77 7.77 ChEMBL