General Information of the Compound
Compound ID
CP0037451
Compound Name
1,1',1'',1'''-[disulfanediylbis(carbonothioylnitrilo)]tetraethane
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Synonyms
Abstenisil
Abstinil
Abstinyl
Accel TET
Accel TET-R
Akrochem TETD
Alcophobin
Alk-aubs
Ancazide ET
Antab use
Antabus
Antabus (TN)
Antabuse
Antabuse (TN)
Antadix
Antaenyl
Antaethan
Antaethyl
Antaetil
Antalcol
Antetan
Antethyl
Antetil
Anteyl
Anthethyl
Anti-ethyl
Antiaethan
Anticol
Antietanol
Antiethanol
Antietil
Antikol
Antivitium
Antivitium (Spain)
Aversan
Averzan
Bonibal
Contralin
Contrapot
Cronetal
Dicupral
Disetil
Disulfan
Disulfiram
Disulfirame
Disulfirame [DCIT]
Disulfiramo
Disulfiramum
Disulfirm
Disulfram
Disulfuram
Disulphuram
Dupon 4472
ENT 27,340
Ekagom DTET
Ekagom TEDS
Ekagom TETDS
Ekaland TETD
Ephorran
Espenal
Esperal
Esperal [France]
Eta bus
Etabus
Ethyl Thiram
Ethyl Thiudad
Ethyl Thiurad
Ethyl Tuads Rodform
Ethyl Tuex
Ethyl tuads
Ethyldithiourame
Ethyldithiurame
Etyl Tuex
Exhoran
Exhorran
Gababentin
Hoca
Krotenal
Nocbin
Nocceler
Nocceler TET
Nocceler TET-G
Noxal
Noxal (VAN)
Perkacit TETD
Perkait TETD
Refusal
Ro-Sulfram-500 (USA)
Ro-sulfiram
Robac TET
Sanceler TET
Sanceler TET-G
Soxinol TET
Stopaethyl
Stopethyl
Stopety
Stopetyl
T 1132
TATD
TETD
THIOCID
TTD
TTS
TTS x
Tenurid
Tenutex
Tet raethylthiuram
Tetidis
Tetradin
Tetradine
Tetraethylthiuram
Tetraetil
Teturam
Teturamin
Thireranide
Thiuram E
Thiuranide
Tillram
Tiuram
Tuads, ethyl
Usaf B-33
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Structure
Formula
C10H20N2S4
Molecular Weight
296.552
Canonical SMILES
CCN(CC)C(=S)SSC(=S)N(CC)CC
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InChI
InChI=1S/C10H20N2S4/c1-5-11(6-2)9(13)15-16-10(14)12(7-3)8-4/h5-8H2,1-4H3
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InChIKey
AUZONCFQVSMFAP-UHFFFAOYSA-N
CAS
97-77-8
11078-22-1
155-01-1
Physicochemical Property
logP
3.6212
Rotatable Bonds
4
Heavy Atom Count
16
Polar Areas
6.48
Hydrogen Bond Donor Count
0
Hydrogen Bond Acceptor Count
4
Complexity
16

"RO5" indicates the cutoff set by lipinski's rule of five:

(1) Molecular weight less than 500 Dalton;

(2) xlogp less than 5;

(3) No more than 5 hbonddonor (Hydrogen Bond Donor Count);

(4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count);

(5) No more than 10 rotbonds (Rotatable Bond Count).

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PubChem ID
CID: 3117
SID: 14751553
ChEMBL ID
CHEMBL964
DrugBank ID
DB00822
Map of Molecular Bioactivity Related to the Compound
Map of Molecular Bioactivity Related to the Compound

Compound
Cell Line
Protein

Bioactivity Value:

<= 0.1 μM
> 0.1 μM and <= 10 μM
> 10 μM
Imprecise Activity
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00918, Amine oxidase [flavin-containing] A
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 13734 nM
   TI
   LI
   LO
   TS
Protein ID: PT01002, Cytochrome P450 1A2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000023 BTI-Tn-5B1-4 Trichoplusia ni (Cabbage looper)  1
1
IC50 = 4000 nM
   TI
   LI
   LO
   TS
Protein ID: PT06109, Geminin
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000015 SW480 Homo sapiens (Human)  2
1
Potency ~ 15.1 nM
   TI
   LI
   LO
   TS
2
Potency ~ 206 nM
   TI
   LI
   LO
   TS
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000156 HT-1080 Homo sapiens (Human)  1
1
Potency ~ 13 nM
   TI
   LI
   LO
   TS
Protein ID: PT04868, Lysyl oxidase homolog 2
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000265 NS0 Mus musculus (Mouse)  1
1
IC50 = 150 nM
   TI
   LI
   LO
   TS
Protein ID: PT05466, Lysyl oxidase homolog 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000011 CHO Cricetulus griseus (Chinese hamster)  1
1
IC50 = 93 nM
   TI
   LI
   LO
   TS
Protein ID: PT03356, NACHT, LRR and PYD domains-containing protein 3
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000188 J774A1 Mus musculus (Mouse)  1
1
IC50 = 3000 nM
   TI
   LI
   LO
   TS
Protein ID: PT05764, Protein-lysine 6-oxidase
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL000006 HEK293 Homo sapiens (Human)  1
1
IC50 = 320 nM
   TI
   LI
   LO
   TS
Protein ID: PT01065, Serine/threonine-protein kinase mTOR
Cell-based Assay
Cell Line ID Cell Line Name Cell Line Organism
CL001056 MEF-1 [Mouse fibroblast] Mus musculus (Mouse)  1
1
Potency = 65.6 nM
   TI
   LI
   LO
   TS
Clinical Information about the Compound
Drug 1 ( Disulfiram )
Drug Name Disulfiram
Company Odyssey Pharmaceuticals
Indication
Alcohol dependence
Approved
Target(s)
Fatty aldehyde dehydrogenase (ALDH3A2)
Inhibitor
Drug 2 ( Disulfiram )
Drug Name Disulfiram
Company Odyssey Pharmaceuticals
Indication
Alcohol dependence
Approved
Coronavirus Disease 2019 (COVID-19)
Investigative
Severe acute respiratory syndrome (SARS)
Investigative
Middle East Respiratory Syndrome (MERS)
Investigative