Detailed information for compound 1132690

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 184.28 | Formula: C4H12N2O2S2
  • H donors: 2 H acceptors: 2 LogP: -1.3 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: SC[C@@H](CCS(=O)(=O)N)N
  • InChi: 1S/C4H12N2O2S2/c5-4(3-9)1-2-10(6,7)8/h4,9H,1-3,5H2,(H2,6,7,8)/t4-/m1/s1
  • InChiKey: VJPTURNLUNYYNU-SCSAIBSYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.2599 0.3359
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2599 0.3359
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Echinococcus granulosus potassium voltage gated channel subfamily H 0.004 0.1992 0.2574
Plasmodium falciparum thioredoxin reductase 0.0049 0.2578 1
Mycobacterium tuberculosis Probable reductase 0.0111 0.6921 0.8837
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0017 0.0362 0.5
Trypanosoma brucei metacaspase 5, putative 0.0037 0.1757 0.6294
Schistosoma mansoni hypothetical protein 0.0086 0.517 0.517
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0362 0.0362
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Trypanosoma cruzi trypanothione reductase, putative 0.0049 0.2578 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Plasmodium vivax glutathione reductase, putative 0.0049 0.2578 1
Echinococcus granulosus caspase 2 0.0122 0.7739 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1757 0.227
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0123 0.7784 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0111 0.6921 0.8837
Schistosoma mansoni hypothetical protein 0.0033 0.1495 0.1495
Trypanosoma brucei trypanothione reductase 0.0049 0.2578 1
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Loa Loa (eye worm) POT family protein 0.0045 0.2327 0.3007
Plasmodium falciparum metacaspase-like protein 0.0037 0.1757 0.6294
Loa Loa (eye worm) hypothetical protein 0.0086 0.517 0.668
Echinococcus granulosus caspase 0.0037 0.1757 0.227
Schistosoma mansoni hypothetical protein 0.0071 0.4173 0.4173
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0037 0.1757 0.227
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0362 0.0468
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.1807 1
Echinococcus multilocularis caspase 0.0037 0.1757 0.227
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0037 0.1757 0.6294
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0017 0.0362 0.5
Giardia lamblia NADH oxidase lateral transfer candidate 0.0017 0.0362 0.5
Echinococcus granulosus caspase 8 0.0037 0.1757 0.227
Loa Loa (eye worm) glutathione reductase 0.0049 0.2578 0.3331
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0049 0.2578 0.2985
Trypanosoma cruzi metacaspase 5, putative 0.0037 0.1757 0.6294
Schistosoma mansoni hypothetical protein 0.0033 0.1495 0.1495
Plasmodium vivax thioredoxin reductase, putative 0.0049 0.2578 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0049 0.2578 0.3331
Echinococcus multilocularis GPCR, family 2 0.0033 0.1495 0.1932
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0017 0.0362 0.5
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.1495 0.1932
Leishmania major trypanothione reductase 0.0049 0.2578 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0037 0.1757 0.227
Trypanosoma cruzi metacaspase, putative 0.0037 0.1757 0.6294
Brugia malayi Cell death protein 3 precursor 0.0122 0.7739 1
Echinococcus multilocularis caspase 8 0.0037 0.1757 0.227
Trypanosoma brucei metacaspase 0.0037 0.1757 0.6294
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.4173 0.5392
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2599 0.3359
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0362 0.5
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0037 0.1757 0.6294
Brugia malayi Thioredoxin reductase 0.0049 0.2578 0.3331
Echinococcus multilocularis caspase 2 0.0122 0.7739 1
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0037 0.1757 0.227
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.1495 0.1932
Loa Loa (eye worm) hypothetical protein 0.0071 0.4173 0.5392
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2599 0.2599
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2599 0.2599
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.1495 0.1932
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0111 0.6921 0.8837
Brugia malayi POT family protein 0.0045 0.2327 0.3007
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.648 0.8374
Trypanosoma brucei metacaspase MCA2 0.0037 0.1757 0.6294
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.648 0.8374
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Onchocerca volvulus Cell death protein 3 homolog 0.0122 0.7739 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0362 0.0468
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Loa Loa (eye worm) thioredoxin reductase 0.0049 0.2578 0.3331
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0037 0.1757 0.1757
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Loa Loa (eye worm) hypothetical protein 0.0033 0.1495 0.1932
Toxoplasma gondii thioredoxin reductase 0.0049 0.2578 1
Schistosoma mansoni hypothetical protein 0.0033 0.1495 0.1495
Leishmania major metacaspase, putative 0.0037 0.1757 0.6294
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.1495 0.1932
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0037 0.1807 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0017 0.0362 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.004 0.1992 0.2574
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Loa Loa (eye worm) hypothetical protein 0.0104 0.648 0.8374
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.2599 0.3359
Trypanosoma cruzi metacaspase, putative 0.0037 0.1757 0.6294
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0051 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.2599 0.2599
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.004 0.1992 0.2574
Brugia malayi glutathione reductase 0.0049 0.2578 0.3331
Brugia malayi Latrophilin receptor protein 2 0.0033 0.1495 0.1932
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.1495 0.1932
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0111 0.6921 0.8837
Trypanosoma cruzi metacaspase, putative 0.0037 0.1757 0.6294
Echinococcus granulosus thioredoxin glutathione reductase 0.0049 0.2578 0.3331
Schistosoma mansoni hypothetical protein 0.0033 0.1495 0.1495
Schistosoma mansoni caspase-7 (C14 family) 0.0122 0.7739 0.7739
Loa Loa (eye worm) hypothetical protein 0.0035 0.1621 0.2095
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.648 0.8374
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0017 0.0362 0.5
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.004 0.1992 0.2574
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0362 0.0468
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1757 0.9652
Plasmodium vivax hypothetical protein, conserved 0.0037 0.1757 0.6294
Plasmodium vivax metacaspase 1, putative 0.0037 0.1757 0.6294
Plasmodium falciparum glutathione reductase 0.0049 0.2578 1
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0111 0.6921 0.8837
Loa Loa (eye worm) hypothetical protein 0.0122 0.7739 1
Echinococcus granulosus GPCR family 2 0.0033 0.1495 0.1932
Mycobacterium tuberculosis Probable oxidoreductase 0.0123 0.7784 1
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.2249 0.2249
Trypanosoma cruzi metacaspase, putative 0.0037 0.1757 0.6294
Treponema pallidum NADH oxidase 0.0017 0.0362 0.5
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0123 0.7784 1
Trypanosoma cruzi metacaspase 5, putative 0.0037 0.1757 0.6294
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.1495 0.1932
Plasmodium falciparum metacaspase 1 0.0037 0.1757 0.6294
Brugia malayi hypothetical protein 0.0086 0.517 0.668
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0051 0.0065
Trypanosoma brucei Metacaspase-4 0.0037 0.1757 0.6294
Schistosoma mansoni caspase-7 (C14 family) 0.0037 0.1757 0.1757
Echinococcus multilocularis apoptotic protease activating factor 1 0.0086 0.517 0.668
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0037 0.1757 0.9652
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0123 0.7784 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0037 0.1757 0.6294
Trypanosoma brucei metacaspase MCA3 0.0037 0.1757 0.6294
Echinococcus granulosus apoptotic protease activating factor 1 0.0086 0.517 0.668
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.2599 0.3359
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.2599 0.3359
Schistosoma mansoni caspase-3 (C14 family) 0.0037 0.1757 0.1757
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0111 0.6921 0.8837
Schistosoma mansoni voltage-gated potassium channel 0.0044 0.2249 0.2249

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 100 uM Inhibition of tetanus neurotoxin (TeNt) ChEMBL. 9986722

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

No literature references available for this target.

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