IS1


SMILES O=C(/C(=C/c1ccco1)/NC(=O)c1ccccc1)NCc1cccnc1
InChIKey ANTQNDKESCDJPE-PDGQHHTCSA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 6
Molecular weight (Da) 347.1

Drug properties

Molecular type Small molecule
Endogenous/Surrogate Surrogate
Approved drug No

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
CXCR4 CXCR4 Human Chemokine A pIC50 7.8 7.8 7.8 ChEMBL