compound 4g [PMID: 22220592]


SMILES Nc1nnc(c(n1)c1ccccc1)c1cc(C)nc(c1)C
InChIKey SORFNYWLKDSNNF-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 5
Hydrogen bond donors 1
Rotatable bonds 2
Molecular weight (Da) 277.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

Database connections

Structure pdb 3UZA
Ligand site mutations A2A

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
PAR1 PAR1 Human Proteinase-activated A pIC50 6.06 6.48 7.05 ChEMBL