MSX-2


SMILES OCCCn1c(=O)n(CC#C)c(=O)c2c1nc(n2C)/C=C/c1cccc(c1)OC
InChIKey FWLDDFYHEQMIGG-MDZDMXLPSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 1
Rotatable bonds 7
Molecular weight (Da) 394.2

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
A2A AA2AR Rat Adenosine A pKi 8.1 8.14 8.3 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.05 6.05 6.05 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.82 8.16 8.3 ChEMBL
A1 AA1R Human Adenosine A pKi 5.6 5.6 5.6 ChEMBL
A1 AA1R Human Adenosine A pKi 5.6 5.6 5.6 Guide to Pharmacology
A2A AA2AR Human Adenosine A pKi 7.84 8.05 8.27 Guide to Pharmacology
A2B AA2BR Human Adenosine A pKi 5.54 5.54 5.54 ChEMBL
A2B AA2BR Human Adenosine A pKi 5.0 5.27 5.54 Guide to Pharmacology
A3 AA3R Human Adenosine A pKi 5.0 5.0 5.0 Guide to Pharmacology
A1 AA1R Rat Adenosine A pKi 6.05 6.05 6.05 Guide to Pharmacology
A2A AA2AR Rat Adenosine A pKi 8.09 8.09 8.09 Guide to Pharmacology
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database