Details of the Drug

General Information of Drug (ID: DM9J5Q4)

Drug Name

VAL-083

Synonyms

VAL-083; Dianhydrogalactitol; 23261-20-3; UNII-4S465RYF7M; 1,2:5,6-DIANHYDROGALACTITOL; Dulcitoldiepoxide; 4S465RYF7M; Dianhydrogalactitol [USAN:INN]; SCHEMBL4306431; Dianhydrogalactitol (USAN/INN); CHEMBL3137322; AAFJXZWCNVJTMK-GUCUJZIJSA-N; ZINC4963497; CS-1358; DB12873; NSC-1323313; HY-16513; BC657197; D10623; W-5268; J-015059; 457899-38-6

Indication

Disease Entry	ICD 11	Status	REF
Recurrent glioblastoma	2A00.00	Phase 3	[1]
Recurring respiratory infection	CA07-CA45	Phase 3	[2]
Acute myeloid leukaemia	2A60	Phase 1/2	[3]
Grade IV malignant glioma	2A00.0	Phase 1/2	[3]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

146.14

Logarithm of the Partition Coefficient (xlogp)

-1.3

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C6H10O4
IUPAC Name: (1S,2R)-1-[(2S)-oxiran-2-yl]-2-[(2R)-oxiran-2-yl]ethane-1,2-diol
Canonical SMILES: C1[C@@H](O1)[C@@H]([C@@H]([C@@H]2CO2)O)O
InChI: InChI=1S/C6H10O4/c7-5(3-1-9-3)6(8)4-2-10-4/h3-8H,1-2H2/t3-,4+,5+,6-
InChIKey: AAFJXZWCNVJTMK-GUCUJZIJSA-N

Cross-matching ID

PubChem CID: 15942827
CAS Number: 23261-20-3
DrugBank ID: DB12873
TTD ID: D0A1IL

Repurposed Drugs (RPD)

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Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Human Deoxyribonucleic acid (hDNA)	TTUTN1I	NOUNIPROTAC	Modulator	[4]

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Drug Off-Target (DOT)

DOT Name	DOT ID	UniProt ID	Interaction	REF
72 kDa type IV collagenase (MMP2)	OT5NIWA2	MMP2_HUMAN	Gene/Protein Processing	[5]
Cellular tumor antigen p53 (TP53)	OTIE1VH3	P53_HUMAN	Gene/Protein Processing	[6]
Cyclin-dependent kinase 1 (CDK1)	OTW1SC2N	CDK1_HUMAN	Post-Translational Modifications	[6]
Cyclin-dependent kinase inhibitor 1 (CDKN1A)	OTQWHCZE	CDN1A_HUMAN	Gene/Protein Processing	[6]
Fibroblast growth factor 2 (FGF2)	OT7YUJ9F	FGF2_HUMAN	Gene/Protein Processing	[5]
M-phase inducer phosphatase 3 (CDC25C)	OTPQI71S	MPIP3_HUMAN	Post-Translational Modifications	[6]
Serine-protein kinase ATM (ATM)	OTQVOHLT	ATM_HUMAN	Post-Translational Modifications	[6]
Serine/threonine-protein kinase Chk2 (CHEK2)	OT8ZPCNS	CHK2_HUMAN	Post-Translational Modifications	[6]
Vascular endothelial growth factor A, long form	OTIM9MZ3	VEGFA_HUMAN	Gene/Protein Processing	[5]
Vascular endothelial growth factor receptor 2 (KDR)	OT15797V	VGFR2_HUMAN	Gene/Protein Processing	[5]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3	ClinicalTrials.gov (NCT01478178) Safety Study of VAL-083 in Patients With Recurrent Malignant Glioma. U.S. National Institutes of Health.
4	Effect of 1,2:5,6-dianhydrogalactitol and 1,2:5,6-dianhydro-3,4-diacetylgalactitol on DNA synthesis in the cells of melanoma B16, bone marrow, small intestine epithelium, spleen and liver of mice. Biull Eksp Biol Med. 1984 Sep;98(9):301-3.
5	Dianhydrogalactitol, a potential multitarget agent, inhibits glioblastoma migration, invasion, and angiogenesis. Biomed Pharmacother. 2017 Jul;91:1065-1074. doi: 10.1016/j.biopha.2017.05.025. Epub 2017 May 15.
6	1,2:5,6-dianhydrogalactitol inhibits human glioma cell growth in vivo and in vitro by arresting the cell cycle at G(2)/M phase. Acta Pharmacol Sin. 2017 Apr;38(4):561-570. doi: 10.1038/aps.2016.154. Epub 2017 Feb 20.