ATLa2


SMILES OC(=O)CCC[C@@H]([C@@H](/C=C/C=C/C=C\C=C\[C@@H](COc1ccc(cc1)F)C)O)O
InChIKey SGFIFYSIHRWSCE-LLXPRBAESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 13
Molecular weight (Da) 404.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections


Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pKi 6.78 7.06 7.14 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.51 9.08 9.22 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.5 8.85 9.2 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 6.8 7.0 7.2 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 6.39 6.39 6.39 ChEMBL
MT1 MTR1A Human Melatonin A pEC50 7.14 7.14 7.14 ChEMBL