BWA1433


SMILES CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=CC=C(C=C3)C=CC(=O)O
InChIKey UGCOFEOEBHUEHA-UHFFFAOYSA-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
A1 AA1R Human Adenosine A pKi 6.92 7.72 8.52 PDSP Ki database
A3 AA3R Human Adenosine A pKi 6.13 6.93 7.4 PDSP Ki database
A3 AA3R Sheep Adenosine A pKi 7.68 7.68 7.68 PDSP Ki database
A1 AA1R Chicken Adenosine A pKi 6.78 6.78 6.78 PDSP Ki database
A2B AA2BR Human Adenosine A pKi 7.29 7.29 7.29 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database