CP 99994


SMILES COc1ccccc1CN[C@H]1CCCN[C@H]1c1ccccc1
InChIKey DTQNEFOKTXXQKV-HKUYNNGSSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 5
Molecular weight (Da) 296.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6HLL

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 5.3 5.55 5.8 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 7.7 8.05 8.4 Guide to Pharmacology
OX1 OX1R Human Orexin A pKi 5.5 6.19 8.3 ChEMBL
OX2 OX2R Human Orexin A pKi 5.5 7.58 8.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKB 5.25 5.25 5.25 Guide to Pharmacology
OX2 OX2R Human Orexin A pKB 8.0 8.0 8.0 Guide to Pharmacology