AAE-M-PBP-amine


SMILES CC(=O)NCCN(c1cccc(c1)OCCCCc1ccccc1)C
InChIKey VJIVACBGAAEDPS-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 10
Molecular weight (Da) 340.2

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
MT1 MTR1A Human Melatonin A pKi 8.9 8.9 8.9 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 7.04 7.04 7.04 ChEMBL
MT1 MTR1A Human Melatonin A pKi 8.93 8.93 8.93 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database