alloswitch-1


SMILES COc1cc(/N=N/c2ccccn2)ccc1NC(=O)c1ccccc1Cl
InChIKey JJRNGNCTPCWXGM-WCWDXBQESA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 5
Molecular weight (Da) 366.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 7P2L

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pKi 9.43 9.43 9.43 ChEMBL
MT2 MTR1B Human Melatonin A pKi 8.38 8.38 8.38 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT1 MTR1A Human Melatonin A pEC50 7.66 7.66 7.66 ChEMBL
MT2 MTR1B Human Melatonin A pEC50 7.06 7.06 7.06 ChEMBL