UK-432,097


SMILES CCNC(=O)[C@H]1O[C@H]([C@@H]([C@@H]1O)O)n1cnc2c1nc(nc2NCC(c1ccccc1)c1ccccc1)C(=O)NCCNC(=O)NC1CCN(CC1)c1ccccn1
InChIKey ZOTHAEBAWXWVID-HXEFRTELSA-N

Chemical properties

Hydrogen bond acceptors 13
Hydrogen bond donors 7
Rotatable bonds 14
Molecular weight (Da) 777.4

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 3QAK 5WF6 5WF5 7EZC

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pKi 8.43 8.43 8.43 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A3 AA3R Human Adenosine A pIC50 8.12 8.12 8.12 ChEMBL
A2B AA2BR Human Adenosine A pIC50 5.88 5.88 5.88 ChEMBL