mavorixafor


SMILES NCCCCN([C@H]1CCCc2c1nccc2)Cc1nc2c([nH]1)cccc2
InChIKey WVLHHLRVNDMIAR-IBGZPJMESA-N

Chemical properties

Hydrogen bond acceptors 4
Hydrogen bond donors 2
Rotatable bonds 7
Molecular weight (Da) 349.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug Yes

Database connections

Structure pdb 8ZPM
Ligand site mutations CXCR4

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR4 CXCR4 Human Chemokine A pKi 7.96 7.96 7.96 Guide to Pharmacology
CXCR4 CXCR4 Human Chemokine A pKi 7.64 7.64 7.64 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
CXCR4 CXCR4 Human Chemokine A pIC50 7.89 7.89 7.89 Guide to Pharmacology
CXCR4 CXCR4 Human Chemokine A pIC50 7.52 8.0 8.3 ChEMBL
μ OPRM Human Opioid A pIC50 4.92 4.92 4.92 ChEMBL
D2 DRD2 Human Dopamine A pIC50 5.39 5.39 5.39 ChEMBL
M2 ACM2 Human Acetylcholine (muscarinic) A pIC50 5.12 5.12 5.12 ChEMBL