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)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

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: CHEMBL48963
CAS Number: 10465-78-8
TTD ID: D0X9TG

Drug ADMET Endpoint Profile (DAE)^NEW

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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
Peptidyl-prolyl cis-trans isomerase F, mitochondrial (PPIF)	OTRA8ZVE	PPIF_HUMAN	Post-Translational Modifications	[2]
Riboflavin kinase (RFK)	OT77IYIS	RIFK_HUMAN	Drug Response	[3]
Superoxide dismutase , mitochondrial (SOD2)	OTIWXGZ9	SODM_HUMAN	Gene/Protein Processing	[4]
Thioredoxin	OT6XU6VW	THIO_HUMAN	Post-Translational Modifications	[2]
Thioredoxin, mitochondrial	OTE9A5XQ	THIOM_HUMAN	Post-Translational Modifications	[2]
Thioredoxin-dependent peroxide reductase, mitochondrial (PRDX3)	OTLB2WEU	PRDX3_HUMAN	Post-Translational Modifications	[2]

Molecular Interaction Atlas (MIA)

MIA Detail

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	Mitochondrial Thioredoxin System as a Modulator of Cyclophilin D Redox State. Sci Rep. 2016 Mar 15;6:23071. doi: 10.1038/srep23071.
3	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.
4	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.