BW-A1433


SMILES CCCn1c2nc([nH]c2c(=O)n(c1=O)CCC)c1ccc(cc1)/C=C/C(=O)O
InChIKey UGCOFEOEBHUEHA-JXMROGBWSA-N

Chemical properties

Hydrogen bond acceptors 6
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 382.2

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
A2B AA2BR Human Adenosine A pKi 7.3 7.3 7.3 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 7.3 7.3 7.3 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 7.4 7.4 7.4 Guide to Pharmacology
A3 AA3R Rat Adenosine A pKi 4.82 4.82 4.82 ChEMBL
A1 AA1R Rat Adenosine A pKi 7.82 7.82 7.82 ChEMBL
A1 AA1R Human Adenosine A pKi 6.85 6.85 6.85 ChEMBL
A2A AA2AR Human Adenosine A pKi 6.72 6.72 6.72 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.22 7.22 7.22 ChEMBL
A3 AA3R Human Adenosine A pKi 7.52 7.52 7.52 ChEMBL
A2A AA2AR Rat Adenosine A pKi 6.1 6.1 6.1 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database