Details of the Drug

General Information of Drug (ID: DM3WX0K)

Drug Name

HQK-1004

Synonyms

Arginine butyrate; VX-105; VX-105); Arginine butyrate (hematological malignancies), HemaQuest

Indication

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

3D MOL

2D MOL

#Ro5 Violations (Lipinski):
4

Molecular Weight

875

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

23

Hydrogen Bond Donor Count

16

Hydrogen Bond Acceptor Count

20

Chemical Identifiers

Formula: C34H74N12O14
IUPAC Name: (2S)-2-amino-5-(diaminomethylideneamino)pentanoic acid;butanoic acid
Canonical SMILES: CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.CCCC(=O)O.C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C[C@@H](C(=O)O)N)CN=C(N)N.C(C[C@@H](C(=O)O)N)CN=C(N)N
InChI: InChI=1S/3C6H14N4O2.4C4H8O2/c3*7-4(5(11)12)2-1-3-10-6(8)9;4*1-2-3-4(5)6/h3*4H,1-3,7H2,(H,11,12)(H4,8,9,10);4*2-3H2,1H3,(H,5,6)/t3*4-;;;;/m000..../s1
InChIKey: ZVEMACCDKBQNGX-KALODSIISA-N

Cross-matching ID

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

Molecular Interaction Atlas (MIA)

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Molecular Expression Atlas of This Drug

The Studied Disease

Solid tumour/cancer

ICD Disease Classification

2A00-2F9Z

Molecule Name	Molecule Type	Gene Name	p-value	Fold-Change	Z-score
Thymidine kinase 1 (TK1)	DTT	TK1	1.14E-03	0.26	0.75

Molecular Expression Atlas (MEA)

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References

1	ClinicalTrials.gov (NCT00992732) Study of HQK-1004 and Valganciclovir to Treat Epstein-Barr Virus (EBV) - Positive Lymphoid Malignancies or Lymphoproliferative Disorders. U.S. National Institutes of Health.
2	Induction of the Epstein-Barr virus thymidine kinase gene with concomitant nucleoside antivirals as a therapeutic strategy for Epstein-Barr virus-associated malignancies. Curr Opin Oncol. 2001 Sep;13(5):360-7.