SB-408124


SMILES O=C(Nc1cc(C)nc2c1cc(F)cc2F)Nc1ccc(cc1)N(C)C
InChIKey JTARFZSNUAGHRB-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 3
Molecular weight (Da) 356.1

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 6TQ9

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKi 7.25 7.25 7.25 Guide to Pharmacology
OX2 OX2R Human Orexin A pKi 5.35 5.35 5.35 Guide to Pharmacology
OX1 OX1R Rat Orexin A pKi 6.4 6.4 6.4 Guide to Pharmacology
OX1 OX1R Human Orexin A pKi 7.6 7.66 7.72 ChEMBL
OX1 OX1R Human Orexin A pKd 7.57 7.57 7.57 ChEMBL
OX2 OX2R Human Orexin A pKi 5.68 5.88 6.1 ChEMBL
D1 DRD1 Human Dopamine A pKi 5.75 5.75 5.75 ChEMBL
5-HT2B 5HT2B Human 5-Hydroxytryptamine A pKi 6.5 6.5 6.5 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
OX1 OX1R Human Orexin A pKB 7.9 7.9 7.9 Guide to Pharmacology
OX2 OX2R Human Orexin A pKB 6.0 6.0 6.0 Guide to Pharmacology