TTD_Target_ID Target_Name TTD_Drug_ID Drug_Name Drug_Highest_Status Drug_PubchemID Molecular_Formula Molecular_Weight Canonical_SMILES Activity Binder_Type T97613 Melatonin receptor type 1A B1SW0E N-[2-(7-Methoxy-1-naphthalenyl)ethyl]heptanamide Investigative 15149134 C20H27NO2 313.4 CCCCCCC(=O)NCCC1=CC=CC2=C1C=C(C=C2)OC IC50 = 100000 nM Poor binder T97613 Melatonin receptor type 1A BA8LV1 4-[[(E)-3,7-Dimethyl-2,6-octadienyl]oxy]-3-methoxycinnamic acid Investigative 39847023 C20H26O4 330.4 CC(=CCC/C(=C/COC1=C(C=C(C=C1)/C=C/C(=O)O)OC)/C)C Ki = 59000 nM Poor binder T97613 Melatonin receptor type 1A BB8X4M N-[2-(4-Methoxyphenoxy)ethyl]acetamide Investigative 3964826 C11H15NO3 209.24 CC(=O)NCCOC1=CC=C(C=C1)OC Ki = 61659.5 nM Poor binder T97613 Melatonin receptor type 1A BI75EV N-[(2R)-1-Phenylsulfanylpropan-2-yl]acetamide Investigative 49865424 C11H15NOS 209.31 C[C@H](CSC1=CC=CC=C1)NC(=O)C Ki = 74131.02 nM Poor binder T97613 Melatonin receptor type 1A BNC12A 4-Naphthalen-1-ylpyrrolidin-2-one Investigative 44359375 C14H13NO 211.26 C1C(CNC1=O)C2=CC=CC3=CC=CC=C32 IC50 = 100000 nM Poor binder T97613 Melatonin receptor type 1A BV4RY8 Acetamide, N-[(1R)-1-methyl-2-phenoxyethyl]- Investigative 11310062 C11H15NO2 193.24 C[C@H](COC1=CC=CC=C1)NC(=O)C Ki = 63095.73 nM Poor binder T97613 Melatonin receptor type 1A D0F6CD SEROTONIN Investigative 5202 C10H12N2O 176.21 C1=CC2=C(C=C1O)C(=CN2)CCN Ki ~ 100000 nM Poor binder