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]
------------------------------------------------------------------------------------

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
UNII: 4S465RYF7M
DrugBank ID: DB12873
TTD ID: D0A1IL

Repurposed Drugs (RPD)

Click to Jump to the Detailed RPD Information of This Drug

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]

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

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]

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

Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

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.