2-iodo-melatonin


SMILES COc1ccc2c(c1)c(CCNC(=O)C)c([nH]2)I
InChIKey FJDDSMSDZHURBJ-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 2
Hydrogen bond donors 2
Rotatable bonds 4
Molecular weight (Da) 358.0

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 7VGY 6ME4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 9.0 9.0 9.0 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 6.4 6.4 6.4 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 5.4 5.4 5.4 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 6.7 6.7 6.7 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.6 8.6 8.6 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 8.6 8.6 8.6 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.4 6.4 6.4 ChEMBL
A1 AA1R Human Adenosine A pKd 8.26 8.26 8.26 ChEMBL
A1 AA1R Human Adenosine A pKi 8.77 9.13 9.4 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.4 5.4 5.4 ChEMBL
A3 AA3R Human Adenosine A pKi 6.7 6.7 6.7 ChEMBL
A2B AA2BR Rat Adenosine A pKi 6.3 6.3 6.3 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 6.3 6.3 6.3 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database