ABEA-X-BY630


SMILES O=C([C@H]1O[C@@H](N2C=NC3=C(NCCCCNC(CCCCCNC(COC4=CC=C(/C=C/C5=[N+]6C(C=C5)=CC=7[N-](B6(F)F)C(=CC7)C8=CC=CS8)C=C4)=O)=O)N=CN=C23)[C@H](O)[C@@H]1O)NCC
InChIKey LODSCYWXMGXOOZ-ZQJYZEHFSA-N

Chemical properties

Hydrogen bond acceptors None
Hydrogen bond donors None
Rotatable bonds None
Molecular weight (Da)

Drug properties

Molecular type Small molecule
Physiological/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 9.2 9.2 9.2 Guide to Pharmacology
A1 AA1R Human Adenosine A pKd 5.99 6.39 6.8 ChEMBL
A1 AA1R Rat Adenosine A pKd 6.05 6.05 6.05 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A1 AA1R Human Adenosine A pEC50 8.47 8.47 8.47 ChEMBL
A2A AA2AR Human Adenosine A pEC50 6.76 6.76 6.76 ChEMBL
A2B AA2BR Human Adenosine A pEC50 5.69 5.69 5.69 ChEMBL
A3 AA3R Human Adenosine A pEC50 8.57 8.57 8.57 ChEMBL