CHEMBL1170178


SMILES Cc1ccc(-n2nccn2)c(C(=O)N2C[C@H]3CC[C@@H]2CCN3c2ncc3ccc(F)cc3n2)c1
InChIKey DVESWXHEJYNRLH-WOJBJXKFSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 457.2

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 9.22 9.22 9.22 ChEMBL
OX2 OX2R Human Orexin A pKi 8.66 8.66 8.66 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pIC50 6.9 6.9 6.9 ChEMBL
OX2 OX2R Human Orexin A pIC50 6.85 6.85 6.85 ChEMBL