Details of the Drug

General Information of Drug (ID: DMJS8V3)

Drug Name

Disufenton sodium

Synonyms

Cerovive; ARL-16556; CPI-22; CXY-059; HPN-07; NXY-059; NXY-059G; OKN-007; S-PBN; Nitrones (cancer), Oklahoma Medical Research Foundation; Nitrones, Renovis/AstraZeneca; PBN derivatives, Renovis/AstraZeneca; Spin trap agents, Renovis/AstraZeneca

Indication

Disease Entry	ICD 11	Status	REF
Ischemia	8B10-8B11	Phase 3	[1]
Recurrent glioblastoma	2A00.00	Phase 1	[2]
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Drug Type

Small molecular drug

Structure

3D MOL is unavailable

2D MOL

#Ro5 Violations (Lipinski):
0

Molecular Weight

381.3

Logarithm of the Partition Coefficient

Not Available

Rotatable Bond Count

2

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

7

Chemical Identifiers

Formula: C11H13NNa2O7S2
IUPAC Name: disodium;4-[(Z)-[tert-butyl(oxido)azaniumylidene]methyl]benzene-1,3-disulfonate
Canonical SMILES: CC(C)(C)/[N+](=C/C1=C(C=C(C=C1)S(=O)(=O)[O-])S(=O)(=O)[O-])/[O-].[Na+].[Na+]
InChI: InChI=1S/C11H15NO7S2.2Na/c1-11(2,3)12(13)7-8-4-5-9(20(14,15)16)6-10(8)21(17,18)19;;/h4-7H,1-3H3,(H,14,15,16)(H,17,18,19);;/q;2*+1/p-2/b12-7-;;
InChIKey: XLZOVRYBVCMCGL-BPNVQINPSA-L

Cross-matching ID

PubChem CID: 6440181
TTD ID: D0F3WG

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
Free radical (FRD)	TT8E7Z0	NOUNIPROTAC	Modulator	[3]

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Molecular Interaction Atlas (MIA)

MIA Detail

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References

1	ClinicalTrials.gov (NCT00061022) Safety and Effectiveness of NXY-059 for the Treatment of Patients Who Have Suffered From a Stroke. U.S. National Institutes of Health.
2	Clinical pipeline report, company report or official report of the Pharmaceutical Research and Manufacturers of America (PhRMA)
3	NXY-059, a free radical--trapping agent, substantially lessens the functional disability resulting from cerebral ischemia in a primate species. Stroke. 2001 Jan;32(1):190-8.