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) 3
Hydrogen Bond Donor Count (hbonddonor) 2
Hydrogen Bond Acceptor Count (hbondacc) 4
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
Drug ADMET Endpoint Profile (DAE)NEW Click to Jump to the Detailed DAE Information of This Drug
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
Cyclin-dependent kinase inhibitor 1 (CDKN1A) OTQWHCZE CDN1A_HUMAN Gene/Protein Processing [5]
M-phase inducer phosphatase 3 (CDC25C) OTPQI71S MPIP3_HUMAN Post-Translational Modifications [5]
Serine-protein kinase ATM (ATM) OTQVOHLT ATM_HUMAN Post-Translational Modifications [5]
Serine/threonine-protein kinase Chk2 (CHEK2) OT8ZPCNS CHK2_HUMAN Post-Translational Modifications [5]
Vascular endothelial growth factor A, long form OTIM9MZ3 VEGFA_HUMAN Gene/Protein Processing [6]
Molecular Interaction Atlas (MIA) 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 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.
6 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.