Detailed information for compound 209849

Basic information

Technical information
  • TDR Targets ID: 209849
  • Name: 2-(anilinocarbamothioyldisulfanylcarbothioyla mino)ethylcarbamothioylsulfanyl N-anilinocarb amodithioate
  • MW: 576.912 | Formula: C18H20N6S8
  • H donors: 6 H acceptors: 0 LogP: 6.18 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 3
  • SMILES: S=C(SSC(=S)NNc1ccccc1)NCCNC(=S)SSC(=S)NNc1ccccc1
  • InChi: 1S/C18H20N6S8/c25-15(29-31-17(27)23-21-13-7-3-1-4-8-13)19-11-12-20-16(26)30-32-18(28)24-22-14-9-5-2-6-10-14/h1-10,21-22H,11-12H2,(H,19,25)(H,20,26)(H,23,27)(H,24,28)
  • InChiKey: SDBIIGLXBBORJH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-anilinocarbamodithioic acid [[[2-[[[(N'-phenylhydrazino)-thioxomethyl]disulfanyl-thioxomethyl]amino]ethylamino]-thioxomethyl]thio] ester
  • 2-(phenylazanylcarbamothioyldisulfanylcarbothioylamino)ethylcarbamothioylsulfanyl N-phenylazanylcarbamodithioate
  • N-anilinocarbamodithioic acid [2-(anilinothiocarbamoyldisulfanylcarbothioylamino)ethylthiocarbamoylthio] ester
  • (phenylamino)carbamothioylsulfanyl [2-[(phenylamino)carbamothioyldisulfanylcarbothioylamino]ethylamino]methanedithioate
  • [2-[[[(N'-phenylhydrazino)-thioxomethyl]disulfanyl-thioxomethyl]amino]ethylamino]methanedithioic acid [[(N'-phenylhydrazino)-thioxomethyl]thio] ester
  • [2-[(phenylamino)thiocarbamoyldisulfanylcarbothioylamino]ethylamino]methanedithioic acid [(phenylamino)thiocarbamoylthio] ester
  • 180510-64-9
  • 2,3,9,10-Tetrathia-5,8-diazadodecanebis(thioic) acid, 4,9-dithioxo-, bis(2-phenylhydrazide)
  • AIDS-011575
  • AIDS011575
  • NSC 16844
  • NSC16844

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)] 0.0101 0.1719 0.1368
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0086 0.1027 0.0646
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0273 1 1
Brugia malayi EGF-like domain containing protein 0.0101 0.1719 0.1368
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0101 0.1719 0.1368
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0075 0.0475 0.0071
Toxoplasma gondii kringle domain-containing protein 0.0121 0.271 0.1526
Schistosoma mansoni notch 0.0101 0.1719 0.1368
Loa Loa (eye worm) hypothetical protein 0.0273 1 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0235 0.8208 1
Onchocerca volvulus Arrow homolog 0.0235 0.8208 0.8003
Echinococcus multilocularis tar DNA binding protein 0.02 0.651 0.7804
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Loa Loa (eye worm) hypothetical protein 0.0086 0.1027 0.1027
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.2041 0.2041
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Brugia malayi EGF-like domain containing protein 0.0101 0.1719 0.1368
Echinococcus granulosus delta-like protein 1 0.0101 0.1719 0.1609
Brugia malayi Protein kinase domain containing protein 0.0121 0.271 0.24
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0086 0.1027 0.0713
Brugia malayi Calcium binding EGF domain containing protein 0.0101 0.1719 0.1368
Brugia malayi Calcium binding EGF domain containing protein 0.0235 0.8208 0.8132
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Loa Loa (eye worm) hypothetical protein 0.0086 0.1027 0.1027
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0121 0.271 0.5
Schistosoma mansoni hypothetical protein 0.0101 0.1719 0.1368
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0238 0.5
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0235 0.8208 0.8208
Loa Loa (eye worm) hypothetical protein 0.0073 0.0407 0.0407
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.007 0.0238 0.5
Echinococcus granulosus transmembrane protease serine 3 0.0086 0.1027 0.0713
Echinococcus granulosus enteropeptidase 0.0167 0.4899 0.5721
Echinococcus granulosus protein jagged 1 0.0101 0.1719 0.1609
Loa Loa (eye worm) RNA binding protein 0.02 0.651 0.651
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0235 0.8208 0.8132
Loa Loa (eye worm) notch protein 0.0101 0.1719 0.1719
Echinococcus multilocularis notch 0.0101 0.1719 0.1609
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.1027 0.0646
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0273 1 1
Loa Loa (eye worm) hypothetical protein 0.0107 0.2041 0.2041
Schistosoma mansoni hypothetical protein 0.0086 0.1027 0.0646
Echinococcus granulosus laminin 0.0235 0.8208 1
Echinococcus multilocularis fat cadherin tumor suppressor 0.0101 0.1719 0.1609
Echinococcus granulosus neurogenic locus notch protein 0.0101 0.1719 0.1609
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Schistosoma mansoni notch 0.0101 0.1719 0.1368
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0235 0.8208 0.8208
Brugia malayi EGF-like domain containing protein 0.0101 0.1719 0.1368
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0086 0.1027 0.0713
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Schistosoma mansoni egf-like domain protein 0.0235 0.8208 0.8132
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.1027 0.0646
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Trypanosoma cruzi hypothetical protein, conserved 0.0121 0.271 0.5
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Brugia malayi Cadherin domain containing protein 0.0101 0.1719 0.1368
Echinococcus granulosus protein jagged 2 0.0101 0.1719 0.1609
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Onchocerca volvulus 0.0101 0.1719 0.0772
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Schistosoma mansoni notch 0.0101 0.1719 0.1368
Echinococcus granulosus tar DNA binding protein 0.02 0.651 0.7804
Echinococcus granulosus neural cadherin 0.0101 0.1719 0.1609
Echinococcus multilocularis neurogenic locus notch protein 0.0101 0.1719 0.1609
Echinococcus multilocularis protein jagged 2 0.0101 0.1719 0.1609
Echinococcus granulosus Mastin 0.0167 0.4899 0.5721
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Echinococcus granulosus neurogenic locus notch protein 4 0.0101 0.1719 0.1609
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Schistosoma mansoni hypothetical protein 0.0101 0.1719 0.1368
Echinococcus multilocularis laminin 0.0235 0.8208 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Loa Loa (eye worm) hypothetical protein 0.0086 0.1027 0.1027
Echinococcus multilocularis fibrillin 1 0.0235 0.8208 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Loa Loa (eye worm) hypothetical protein 0.0273 1 1
Brugia malayi Trypsin-like protease protein 5 0.0086 0.1027 0.0646
Schistosoma mansoni hypothetical protein 0.0101 0.1719 0.1368
Schistosoma mansoni hypothetical protein 0.0121 0.271 0.24
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Loa Loa (eye worm) hypothetical protein 0.0235 0.8208 0.8208
Schistosoma mansoni notch 0.0101 0.1719 0.1368
Echinococcus granulosus glycoprotein Antigen 5 0.0167 0.4899 0.5721
Schistosoma mansoni notch 0.0101 0.1719 0.1368
Echinococcus granulosus slit 2 protein 0.0101 0.1719 0.1609
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Leishmania major hypothetical protein, conserved 0.0121 0.271 0.5
Brugia malayi TAR-binding protein 0.02 0.651 0.6362
Brugia malayi Trypsin family protein 0.0086 0.1027 0.0646
Onchocerca volvulus 0.0101 0.1719 0.0772
Brugia malayi Calcium binding EGF domain containing protein 0.0101 0.1719 0.1368
Echinococcus multilocularis protein jagged 1 0.0101 0.1719 0.1609
Schistosoma mansoni tar DNA-binding protein 0.02 0.651 0.6362
Brugia malayi notch-like transmembrane receptor 0.0101 0.1719 0.1368
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0086 0.1027 0.0646
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0075 0.0475 0.0475
Brugia malayi Fibulin-1 precursor 0.0235 0.8208 0.8132
Brugia malayi EGF-like domain containing protein 0.0101 0.1719 0.1368
Echinococcus granulosus fibropellin Ia 0.0101 0.1719 0.1609
Echinococcus multilocularis fibropellin Ia 0.0101 0.1719 0.1609
Brugia malayi Cadherin domain containing protein 0.0101 0.1719 0.1368
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Echinococcus multilocularis Mastin 0.0167 0.4899 0.5721
Echinococcus multilocularis slit 2 protein 0.0101 0.1719 0.1609
Brugia malayi Delta serrate ligand family protein 0.0101 0.1719 0.1368
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Schistosoma mansoni hypothetical protein 0.0086 0.1027 0.0646
Echinococcus multilocularis glycoprotein Antigen 5 0.0167 0.4899 0.5721
Brugia malayi hypothetical protein 0.0086 0.1027 0.0646
Schistosoma mansoni tar DNA-binding protein 0.02 0.651 0.6362
Schistosoma mansoni hypothetical protein 0.0101 0.1719 0.1368
Echinococcus multilocularis neurogenic locus protein delta 0.0101 0.1719 0.1609
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0235 0.8208 0.8208
Loa Loa (eye worm) Notch2 0.0101 0.1719 0.1719
Brugia malayi EGF-like domain containing protein 0.0101 0.1719 0.1368
Brugia malayi Trypsin family protein 0.0086 0.1027 0.0646
Giardia lamblia High cysteine protein 0.0101 0.1719 0.5
Onchocerca volvulus Slit protein homolog 0.0101 0.1719 0.0772
Loa Loa (eye worm) trypsin family protein 0.0086 0.1027 0.1027
Onchocerca volvulus 0.0121 0.271 0.1876
Echinococcus multilocularis transmembrane protease serine 3 0.0086 0.1027 0.0713
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0235 0.8208 0.8132
Schistosoma mansoni septate junction protein 0.0101 0.1719 0.1368
Echinococcus granulosus notch 0.0101 0.1719 0.1609
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0086 0.1027 0.0713
Schistosoma mansoni tar DNA-binding protein 0.02 0.651 0.6362
Schistosoma mansoni tar DNA-binding protein 0.02 0.651 0.6362
Brugia malayi RNA binding protein 0.02 0.651 0.6362
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0086 0.1027 0.0713
Schistosoma mansoni cell polarity protein 0.0101 0.1719 0.1368
Loa Loa (eye worm) hypothetical protein 0.0235 0.8208 0.8208
Echinococcus multilocularis neural cadherin 0.0101 0.1719 0.1609
Brugia malayi GCC2 and GCC3 family protein 0.0101 0.1719 0.1368
Onchocerca volvulus 0.0186 0.585 0.5376
Brugia malayi Kringle domain containing protein 0.0121 0.271 0.24
Echinococcus granulosus Tolloid protein 1 0.0235 0.8208 1
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.2041 0.1703
Onchocerca volvulus 0.0273 1 1
Schistosoma mansoni hypothetical protein 0.0101 0.1719 0.1368
Onchocerca volvulus Putative cubilin 0.0101 0.1719 0.0772
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Loa Loa (eye worm) hypothetical protein 0.0235 0.8208 0.8208
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Echinococcus granulosus protein jagged 2 0.0101 0.1719 0.1609
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.1027 0.0646
Echinococcus granulosus protein jagged 1 0.0101 0.1719 0.1609
Brugia malayi RNA recognition motif domain containing protein 0.02 0.651 0.6362
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Onchocerca volvulus 0.0101 0.1719 0.0772
Brugia malayi Trypsin family protein 0.0086 0.1027 0.0646
Loa Loa (eye worm) TAR-binding protein 0.02 0.651 0.651
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Schistosoma mansoni slit 0.0101 0.1719 0.1368
Loa Loa (eye worm) hypothetical protein 0.0235 0.8208 0.8208
Loa Loa (eye worm) hypothetical protein 0.0086 0.1027 0.1027
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Brugia malayi Calcium binding EGF domain containing protein 0.0101 0.1719 0.1368
Loa Loa (eye worm) hypothetical protein 0.0235 0.8208 0.8208
Echinococcus granulosus neurogenic locus protein delta 0.0101 0.1719 0.1609
Mycobacterium ulcerans hypothetical protein 0.0086 0.1027 0.5
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.02 0.651 0.651
Schistosoma mansoni hypothetical protein 0.0101 0.1719 0.1368
Echinococcus multilocularis tissue type plasminogen activator 0.0121 0.271 0.2889
Onchocerca volvulus 0.0101 0.1719 0.0772
Plasmodium falciparum cysteine repeat modular protein 1 0.0121 0.271 0.5
Schistosoma mansoni cercarial elastase (S01 family) 0.0086 0.1027 0.0646
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0101 0.1719 0.0772
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.0806 0.0416
Echinococcus multilocularis enteropeptidase 0.0167 0.4899 0.5721
Schistosoma mansoni laminin gamma-3 chain 0.0101 0.1719 0.1368
Loa Loa (eye worm) hypothetical protein 0.0121 0.271 0.271
Echinococcus multilocularis neurogenic locus notch protein 4 0.0101 0.1719 0.1609
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0167 0.4899 0.4683
Brugia malayi EGF-like domain containing protein 0.0101 0.1719 0.1368
Echinococcus multilocularis protein jagged 1 0.0101 0.1719 0.1609
Onchocerca volvulus 0.0101 0.1719 0.0772
Schistosoma mansoni hypothetical protein 0.0101 0.1719 0.1368
Onchocerca volvulus Neurogenic locus notch homolog 0.0101 0.1719 0.0772
Schistosoma mansoni notch 0.0101 0.1719 0.1368
Schistosoma mansoni tar DNA-binding protein 0.02 0.651 0.6362
Echinococcus multilocularis neurogenic locus notch protein 0.0101 0.1719 0.1609
Loa Loa (eye worm) hypothetical protein 0.0101 0.1719 0.1719
Loa Loa (eye worm) hypothetical protein 0.0086 0.1027 0.1027
Echinococcus multilocularis Tolloid protein 1 0.0235 0.8208 1
Echinococcus multilocularis neurogenic locus protein delta 0.0101 0.1719 0.1609
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0086 0.1027 0.0646
Echinococcus granulosus tissue type plasminogen activator 0.0121 0.271 0.2889
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.2041 0.1703
Loa Loa (eye worm) TK/ROR protein kinase 0.0121 0.271 0.271
Brugia malayi Muscle positioning protein 4 0.0101 0.1719 0.1368
Echinococcus granulosus neurogenic locus notch protein 0.0101 0.1719 0.1609
Brugia malayi EGF-like domain containing protein 0.0101 0.1719 0.1368
Schistosoma mansoni voltage-gated potassium channel 0.0082 0.0806 0.0416
Toxoplasma gondii calcium binding egf domain-containing protein 0.0235 0.8208 1

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) 0 Inhibition of HIV-1 replication in human T-cell by using XTT assay; Inactive ChEMBL. 8809151
IC50 (functional) = 17.9 Inhibition of HIV-1 replication in a proliferating human T-cell line assayed using an XTT assay. ChEMBL. 8809151

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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