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
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 3QAK 5WF5 5WF6 7EZC

Sankey plot

Compound is not listed as a drug.

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pKi 7.66 7.98 8.3 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 8.4 8.4 8.4 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pIC50 8.4 8.4 8.4 ChEMBL