Details of the Drug

General Information of Drug (ID: DMVYO41)

Drug Name

XK-469

Synonyms

Rac-2-[4-(7-Chloroquinoxalin-2-yloxy)phenoxy]propionic acid sodium salt

Indication

Disease Entry	ICD 11	Status	REF
Solid tumour/cancer	2A00-2F9Z	Phase 1	[1]

Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

366.7

Topological Polar Surface Area

Not Available

Rotatable Bond Count

5

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

6

Chemical Identifiers

Formula: C17H12ClN2NaO4
IUPAC Name: sodium;2-[4-(7-chloroquinoxalin-2-yl)oxyphenoxy]propanoate
Canonical SMILES: CC(C(=O)[O-])OC1=CC=C(C=C1)OC2=CN=C3C=CC(=CC3=N2)Cl.[Na+]
InChI: InChI=1S/C17H13ClN2O4.Na/c1-10(17(21)22)23-12-3-5-13(6-4-12)24-16-9-19-14-7-2-11(18)8-15(14)20-16;/h2-10H,1H3,(H,21,22);/q;+1/p-1
InChIKey: OJENKXNXJPNEPU-UHFFFAOYSA-M

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
DNA topoisomerase II beta (TOP2B)	TT4NVEM	TOP2B_HUMAN	Modulator	[2]

------------------------------------------------------------------------------------

Molecular Interaction Atlas (MIA)

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	ClinicalTrials.gov (NCT00028522) R(+)XK469 in Treating Patients With Advanced Neuroblastoma. U.S. National Institutes of Health.
2	A pharmacogenetic study of aldehyde oxidase I in patients treated with XK469.Pharmacogenet Genomics.2014 Feb;24(2):129-32.
3	How many drug targets are there Nat Rev Drug Discov. 2006 Dec;5(12):993-6.
4	XK469, a selective topoisomerase IIbeta poison. Proc Natl Acad Sci U S A. 1999 October 12; 96(21): 12168-12173.
5	Design of new topoisomerase II inhibitors based upon a quinobenzoxazine self-assembly model. J Med Chem. 1998 Oct 22;41(22):4273-8.
6	The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42.