Detailed information for compound 1035166

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 339.389 | Formula: C11H28Cl2N2OS2
  • H donors: 3 H acceptors: 1 LogP: 2.16 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC(NCC(S)(C)C)CNCC(S)(C)C.Cl.Cl
  • InChi: 1S/C11H26N2OS2.2ClH/c1-10(2,15)7-12-5-9(6-14)13-8-11(3,4)16;;/h9,12-16H,5-8H2,1-4H3;2*1H
  • InChiKey: PYKDTFDDIGKDQU-UHFFFAOYSA-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
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0362 0.0362
Onchocerca volvulus Matrilysin homolog 0.0047 0.0393 1
Schistosoma mansoni hypothetical protein 0.003 0.0135 0.0135
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0853 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0362 0.0189
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0077 0.085 0.0685
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0581 1
Brugia malayi Angiotensin-converting enzyme family protein 0.0606 0.8847 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0362 0.0409
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0581 1
Brugia malayi jmjC domain containing protein 0.0058 0.0553 0.0625
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0362 0.0189
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.006 0.0581 0.3423
Trichomonas vaginalis CMGC family protein kinase 0.005 0.044 0.5
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0248 0.0248
Brugia malayi jmjC domain containing protein 0.0058 0.0553 0.0625
Loa Loa (eye worm) hypothetical protein 0.0033 0.0176 0.0199
Entamoeba histolytica hypothetical protein 0.0038 0.0248 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0853 1
Wolbachia endosymbiont of Brugia malayi extracellular metallopeptidase 0.0296 0.415 0.5
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.006 0.0581 0.0412
Loa Loa (eye worm) hypothetical protein 0.0026 0.007 0.0079
Entamoeba histolytica hypothetical protein 0.0038 0.0248 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0362 0.0189
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0077 0.085 0.0685
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0553 0.0553
Schistosoma mansoni hypothetical protein 0.0033 0.0176 0.0176
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0581 0.0581
Schistosoma mansoni polycystin 1-related 0.0026 0.0071 0.0071
Mycobacterium leprae PROBABLE HYDROLASE 0.0026 0.007 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0362 0.0189
Schistosoma mansoni jumonji/arid domain-containing protein 0.0058 0.0553 0.0553
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0248 0.0074
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.006 0.0581 0.0412
Plasmodium vivax ataxin-2 like protein, putative 0.0078 0.0853 0.5
Echinococcus granulosus mitogen activated protein kinase 0.005 0.044 0.0268
Echinococcus multilocularis lysine specific demethylase 5A 0.0058 0.0553 0.0383
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0362 0.0409
Loa Loa (eye worm) matrixin family protein 0.0047 0.0393 0.0444
Brugia malayi Matrixin family protein 0.0052 0.0457 0.0517
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0026 0.007 0.0079
Schistosoma mansoni aldehyde dehydrogenase 0.006 0.0581 0.0581
Onchocerca volvulus 0.003 0.0135 0.3431
Trichomonas vaginalis CMGC family protein kinase 0.005 0.044 0.5
Schistosoma mansoni hypothetical protein 0.0033 0.0176 0.0176
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.1253 0.1416
Schistosoma mansoni hypothetical protein 0.0033 0.0176 0.0176
Trypanosoma brucei PAB1-binding protein , putative 0.0078 0.0853 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0176 0.0199
Brugia malayi hypothetical protein 0.005 0.0436 0.0493
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0176 0.0199
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.044 0.0268
Trypanosoma cruzi PAB1-binding protein , putative 0.0078 0.0853 1
Giardia lamblia Kinase, CMGC MAPK 0.005 0.044 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.006 0.0581 0.3423
Brugia malayi Hemopexin family protein 0.003 0.0135 0.0152
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.1253 0.1416
Schistosoma mansoni hypothetical protein 0.0033 0.0176 0.0176
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0058 0.0553 0.0383
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0035 0.0205 0.0029
Schistosoma mansoni hypothetical protein 0.0071 0.0755 0.0755
Trichomonas vaginalis CMGC family protein kinase 0.005 0.044 0.5
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.044 0.0497
Schistosoma mansoni hypothetical protein 0.0035 0.0205 0.0205
Loa Loa (eye worm) hypothetical protein 0.0104 0.1253 0.1416
Echinococcus multilocularis microtubule associated protein 2 0.0682 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0755 0.0853
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0606 0.8847 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0248 0.0074
Echinococcus granulosus lysine specific demethylase 5A 0.0058 0.0553 0.0383
Brugia malayi hypothetical protein 0.0038 0.0248 0.0281
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0362 0.0362
Entamoeba histolytica hypothetical protein 0.0038 0.0248 0.5
Trichomonas vaginalis CMGC family protein kinase 0.005 0.044 0.5
Schistosoma mansoni hypothetical protein 0.0038 0.0248 0.0248
Schistosoma mansoni microtubule-associated protein tau 0.0682 1 1
Entamoeba histolytica hypothetical protein 0.0038 0.0248 0.5
Schistosoma mansoni jumonji domain containing protein 0.0058 0.0553 0.0553
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.044 0.0268
Toxoplasma gondii LsmAD domain-containing protein 0.0078 0.0853 1
Loa Loa (eye worm) hypothetical protein 0.0078 0.0853 0.0964
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.006 0.0581 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0058 0.0553 0.0625
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0035 0.0205 0.0029
Onchocerca volvulus Matrix metalloproteinase homolog 0.0047 0.0393 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.1253 0.1416
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0058 0.0553 0.0383
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0176 0.0199
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0362 0.0362
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0755 0.0853
Loa Loa (eye worm) matrixin family protein 0.0052 0.0457 0.0517
Plasmodium falciparum ataxin-2 like protein, putative 0.0078 0.0853 0.5
Mycobacterium ulcerans aldehyde dehydrogenase 0.006 0.0581 1
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.044 0.0268
Schistosoma mansoni serine/threonine protein kinase 0.005 0.044 0.044
Brugia malayi MAP kinase sur-1 0.005 0.044 0.0497
Brugia malayi hypothetical protein 0.0078 0.0853 0.0964
Leishmania major hypothetical protein, conserved 0.0078 0.0853 1

Activities

No activities found for this compound.

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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