MSX-122

/static/temp/default.svg Search structure
Synonyms
Status
Molecule Category Free-form
UNII 69D634Q702

Structure

InChI Key PXZXYRKDDXKDTK-UHFFFAOYSA-N
Smiles c1cnc(NCc2ccc(CNc3ncccn3)cc2)nc1
InChI
InChI=1S/C16H16N6/c1-7-17-15(18-8-1)21-11-13-3-5-14(6-4-13)12-22-16-19-9-2-10-20-16/h1-10H,11-12H2,(H,17,18,21)(H,19,20,22)

Physicochemical Descriptors

Property Name Value
Molecular Formula C16H16N6
Molecular Weight 292.35
AlogP 2.49
Hydrogen Bond Acceptor 6.0
Hydrogen Bond Donor 2.0
Number of Rotational Bond 6.0
Polar Surface Area 75.62
Molecular species NEUTRAL
Aromatic Rings 3.0
Heavy Atoms 22.0

Pharmacology

Mechanism of Action Action Reference
C-X-C chemokine receptor type 4 antagonist ANTAGONIST PubMed

Target Conservation

Protein: C-X-C chemokine receptor type 4
Description: C-X-C chemokine receptor type 4
Organism : Homo sapiens
P61073 ENSG00000121966

Cross References

Resources Reference
ChEMBL CHEMBL3545330
DrugBank DB12715
FDA SRS 69D634Q702
PubChem 11687907
SureChEMBL SCHEMBL10054965
ZINC ZINC000038247771
CONTENTS