Details of the Drug

General Information of Drug (ID: DMPKTB4)

Drug Name

DTD

Synonyms

DITHIANE DIOL; trans-1,2-Dithiane-4,5-diol; Oxidized dithiothreitol; (4R,5R)-1,2-dithiane-4,5-diol; D-4,5-Dihydroxy-1,2-dithiane; 16096-98-3; NSC 667089; trans-4,5-Dihydroxy-1,2-dithiane; o-DITHIANE, 4,5-DIHYDROXY-, D-; 14193-38-5; 51621-02-4; DTD; 1qtn; 2izx; AC1L97AN; trans-O-Dithiane-4,5-diol; Threo-O-dithiane-4,5-diol; SCHEMBL1628862; (4R,5R)-dithiane-4,5-diol; YPGMOWHXEQDBBV-IMJSIDKUSA-; CHEBI:42147; 1,2-Dithiane-4alpha,5beta-diol; YPGMOWHXEQDBBV-IMJSIDKUSA-N; 1,2-Dithiane-4,5-diol, trans-; ZINC4095547; AKOS022180307; DB01822

Indication

Disease Entry	ICD 11	Status	REF
Discovery agent	N.A.	Investigative	[1]
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Drug Type

Small molecular drug

Structure

3D MOL

2D MOL

#Ro5 Violations (Lipinski): 0

Molecular Weight (mw)

152.2

Logarithm of the Partition Coefficient (xlogp)

-0.6

Rotatable Bond Count (rotbonds)

Hydrogen Bond Donor Count (hbonddonor)

Hydrogen Bond Acceptor Count (hbondacc)

Chemical Identifiers

Formula: C4H8O2S2
IUPAC Name: (4R,5R)-dithiane-4,5-diol
Canonical SMILES: C1[C@@H]([C@H](CSS1)O)O
InChI: InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m0/s1
InChIKey: YPGMOWHXEQDBBV-IMJSIDKUSA-N

Cross-matching ID

PubChem CID: 439407
ChEBI ID: CHEBI:42147
CAS Number: 16096-98-3
DrugBank ID: DB01822
TTD ID: D0Y0LD

Molecular Interaction Atlas of This Drug

Drug Therapeutic Target (DTT)

DTT Name	DTT ID	UniProt ID	MOA	REF
Nuclear factor NF-kappa-B (NFKB)	TTSXVID	NFKB1_HUMAN ; NFKB2_HUMAN ; TF65_HUMAN ; RELB_HUMAN ; REL_HUMAN	Inhibitor	[1]

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Molecular Interaction Atlas (MIA)

MIA Detail

Jump to Detail Molecular Interaction Atlas of This Drug

References

1	A new ditriazine inhibitor of NF-kappaB modulates chronic inflammation and angiogenesis. Naunyn Schmiedebergs Arch Pharmacol. 2002 May;365(5):357-64.