HEMADO


SMILES CCCCC#Cc1nc(NC)c2c(n1)n(cn2)[C@@H]1O[C@@H]([C@H]([C@H]1O)O)CO
InChIKey KOCIMZNSNPOGOP-IWCJZZDYSA-N

Chemical properties

Hydrogen bond acceptors 9
Hydrogen bond donors 4
Rotatable bonds 5
Molecular weight (Da) 361.2

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pKi 6.48 6.48 6.48 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 5.92 5.92 5.92 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 4.52 4.52 4.52 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.96 8.96 8.96 Guide to Pharmacology
A3 AA3R Human Adenosine A pKd 9.0 9.0 9.0 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 8.96 8.96 8.96 ChEMBL
A2A AA2AR Human Adenosine A pKi 5.91 5.91 5.91 ChEMBL
A1 AA1R Human Adenosine A pKi 6.49 6.49 6.49 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2B AA2BR Human Adenosine A pEC50 4.0 4.0 4.0 ChEMBL