cyclo(-Nal-Gly-D-Tyr-D-MeAla-Arg-)


SMILES CC1C(=O)NC(C(=O)NC(C(=O)NCC(=O)NC(C(=O)N1C)CC2=CC=C(C=C2)O)CC3=CC4=CC=CC=C4C=C3)CCCN=C(N)N
InChIKey DOIPLWFMCRABRU-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 7
Hydrogen bond donors 7
Rotatable bonds 8
Molecular weight (Da) 658.3

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
CXCR4 CXCR4 Human Chemokine A pKi 6.31 6.84 7.38 PDSP Ki database
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database