CHEMBL477835


SMILES CNc1cccc(-c2cc(CCNC(C)=O)c3cc(OC)ccc3c2)c1
InChIKey KJPNZAVCWIDJKT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 348.2

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 9.29 9.29 9.29 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.08 7.08 7.08 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.29 9.29 9.29 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 9.3 9.3 9.3 ChEMBL