BAYu9773


SMILES CCCCC/C=C\C/C=C\C=C\C=C\[C@H]([C@H](CCCC(=O)O)O)Sc1ccc(cc1)C(=O)O
InChIKey PKJINWOACFYDQN-RBVMPENBSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 3
Rotatable bonds 17
Molecular weight (Da) 472.2

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 9.57 9.57 9.57 ChEMBL
MT1 MTR1A Human Melatonin A pKi 7.09 7.09 7.09 ChEMBL
MT2 MTR1B Human Melatonin A pKi 9.57 9.57 9.57 PDSP Ki database
MT1 MTR1A Human Melatonin A pKi 7.1 7.1 7.1 Guide to Pharmacology
MT2 MTR1B Human Melatonin A pKi 9.3 9.45 9.6 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
MT2 MTR1B Human Melatonin A pEC50 8.89 8.89 8.89 ChEMBL