KF26777


SMILES CCCn1c2nc([nH]c2c2=NCCn2c1=O)c1ccc(cc1)Br
InChIKey GYGNZJDWTHECQT-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 3
Hydrogen bond donors 1
Rotatable bonds 3
Molecular weight (Da) 373.1

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
A1 AA1R Human Adenosine A pKi 5.74 5.74 5.74 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 9.7 9.7 9.7 ChEMBL
A1 AA1R Human Adenosine A pKi 5.75 5.75 5.75 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.33 6.33 6.33 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.33 6.33 6.33 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 6.21 6.21 6.21 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 9.7 9.7 9.7 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 6.57 6.57 6.57 ChEMBL