Details of the Drug

General Information of Drug (ID: DMOCQ9J)

Drug Name
Diamide
Synonyms
N1,N1,N2,N2-Tetramethyldiazene-1,2-dicarboxamide; CHEBI:48958; VLSDXINSOMDCBK-BQYQJAHWSA-N; N,N',N'-Tetramethylazodicarboxamide; AC1L1HSY; ACMC-2098cn; Lopac0_000397; MLS002153343; DTXSID6040456; CHEMBL1338900; CTK8A9086; CTK8E8363; VLSDXINSOMDCBK-UHFFFAOYSA-N; HMS2234I06; 1,1-azobis(n,n-dimethylformamide); KS-00000EC9; ANW-15093; ZINC13552228; ZINC100005746; 1,1'-azobis(N,N'-dimethylformamide); ZINC253921216; AKOS028108436; n,n,n',n'-tetramethylazo-dicarboxamide; n,n,n',n'-tetramethyl azodicarboxamide
Indication
Disease Entry ICD 11 Status REF
Discovery agent N.A. Investigative [1]
Drug Type
Small molecular drug
Structure
3D MOL 2D MOL
#Ro5 Violations (Lipinski): 0 Molecular Weight (mw) 172.19
Logarithm of the Partition Coefficient (xlogp) 0.2
Rotatable Bond Count (rotbonds) 0
Hydrogen Bond Donor Count (hbonddonor) 0
Hydrogen Bond Acceptor Count (hbondacc) 2
Chemical Identifiers
Formula
C6H12N4O2
IUPAC Name
(3E)-3-(dimethylcarbamoylimino)-1,1-dimethylurea
Canonical SMILES
CN(C)C(=O)/N=N/C(=O)N(C)C
InChI
InChI=1S/C6H12N4O2/c1-9(2)5(11)7-8-6(12)10(3)4/h1-4H3/b8-7+
InChIKey
VLSDXINSOMDCBK-BQYQJAHWSA-N
Cross-matching ID
PubChem CID
5353800
ChEBI ID
CHEBI:48963
CAS Number
10465-78-8
TTD ID
D0X9TG

Molecular Interaction Atlas of This Drug


Drug Therapeutic Target (DTT)
DTT Name DTT ID UniProt ID MOA REF
Protein tyrosine phosphatase (PTP) TTWC6MY NOUNIPROTAC Inhibitor [1]

Drug Off-Target (DOT)
DOT Name DOT ID UniProt ID Interaction REF
Cellular tumor antigen p53 (TP53) OTIE1VH3 P53_HUMAN Post-Translational Modifications [2]
Heme oxygenase 1 (HMOX1) OTC1W6UX HMOX1_HUMAN Gene/Protein Processing [3]
Peptidyl-prolyl cis-trans isomerase F, mitochondrial (PPIF) OTRA8ZVE PPIF_HUMAN Post-Translational Modifications [4]
Riboflavin kinase (RFK) OT77IYIS RIFK_HUMAN Drug Response [5]
Ribosomal protein S6 kinase beta-1 (RPS6KB1) OTAELNGX KS6B1_HUMAN Post-Translational Modifications [6]
Serine/threonine-protein kinase mTOR (MTOR) OTHH8KU7 MTOR_HUMAN Gene/Protein Processing [6]
Signal transducer and activator of transcription 3 (STAT3) OTAAGKYZ STAT3_HUMAN Protein Interaction/Cellular Processes [7]
Superoxide dismutase , mitochondrial (SOD2) OTIWXGZ9 SODM_HUMAN Gene/Protein Processing [8]
Thioredoxin OT6XU6VW THIO_HUMAN Post-Translational Modifications [4]
Thioredoxin, mitochondrial OTE9A5XQ THIOM_HUMAN Post-Translational Modifications [4]
Molecular Interaction Atlas (MIA) Jump to Detail Molecular Interaction Atlas of This Drug

References

1 Induction of endothelial cell surface adhesion molecules by tumor necrosis factor is blocked by protein tyrosine phosphatase inhibitors: role of the nuclear transcription factor NF-kappa B. Eur J Immunol. 1997 Sep;27(9):2172-9.
2 Human p53 is inhibited by glutathionylation of cysteines present in the proximal DNA-binding domain during oxidative stress. Biochemistry. 2007 Jul 3;46(26):7765-80. doi: 10.1021/bi700425y. Epub 2007 Jun 8.
3 Clusterin (apolipoprotein J), a molecular chaperone that facilitates degradation of the copper-ATPases ATP7A and ATP7B. J Biol Chem. 2011 Mar 25;286(12):10073-83. doi: 10.1074/jbc.M110.190546. Epub 2011 Jan 17.
4 Mitochondrial Thioredoxin System as a Modulator of Cyclophilin D Redox State. Sci Rep. 2016 Mar 15;6:23071. doi: 10.1038/srep23071.
5 Involvement of riboflavin kinase expression in cellular sensitivity against cisplatin. Int J Oncol. 2011 Apr;38(4):893-902. doi: 10.3892/ijo.2011.938. Epub 2011 Feb 9.
6 Redox regulation of the nutrient-sensitive raptor-mTOR pathway and complex. J Biol Chem. 2005 Nov 25;280(47):39505-9. doi: 10.1074/jbc.M506096200. Epub 2005 Sep 23.
7 Oxidative stress triggers STAT3 tyrosine phosphorylation and nuclear translocation in human lymphocytes. J Biol Chem. 1999 Jun 18;274(25):17580-6. doi: 10.1074/jbc.274.25.17580.
8 Redox regulation of manganese superoxide dismutase. Am J Physiol. 1996 Jul;271(1 Pt 1):L150-8. doi: 10.1152/ajplung.1996.271.1.L150.