KW-3635


SMILES [O-]C(=O)c1ccc2c(c1)/C(=C/Cn1cnc3c1cc(C)c(c3)C)/c1ccccc1CO2
InChIKey WZXFXUCKNJCHJG-ZVBGSRNCSA-M

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 0
Rotatable bonds 3
Molecular weight (Da) 409.2

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
A2A AA2AR Human Adenosine A pKi 8.77 8.77 8.77 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.19 7.19 7.19 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 8.76 8.77 8.77 ChEMBL
A1 AA1R Human Adenosine A pKi 6.88 6.88 6.88 ChEMBL
A1 AA1R Human Adenosine A pKi 6.8 6.8 6.8 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 7.25 7.25 7.25 ChEMBL
A3 AA3R Human Adenosine A pKi 4.64 4.64 4.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Human Adenosine A pEC50 6.14 6.14 6.14 ChEMBL
A2A AA2AR Human Adenosine A pIC50 6.53 6.53 6.53 ChEMBL