Detailed information for compound 656958

Basic information

Technical information
  • TDR Targets ID: 656958
  • Name: N-[(2-chloro-5-nitrophenyl)methylideneamino]- 2-(1-methylbenzimidazol-2-yl)sulfanylacetamid e
  • MW: 403.843 | Formula: C17H14ClN5O3S
  • H donors: 1 H acceptors: 4 LogP: 3.72 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CSc1nc2c(n1C)cccc2)N/N=C/c1cc(ccc1Cl)[N+](=O)[O-]
  • InChi: 1S/C17H14ClN5O3S/c1-22-15-5-3-2-4-14(15)20-17(22)27-10-16(24)21-19-9-11-8-12(23(25)26)6-7-13(11)18/h2-9H,10H2,1H3,(H,21,24)/b19-9+
  • InChiKey: XSECFFNYEMGUBC-DJKKODMXSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(2-chloro-5-nitro-phenyl)methyleneamino]-2-(1-methylbenzimidazol-2-yl)sulfanyl-acetamide
  • N-[(2-chloro-5-nitrophenyl)methyleneamino]-2-[(1-methyl-2-benzimidazolyl)thio]acetamide
  • N-[(2-chloro-5-nitro-benzylidene)amino]-2-[(1-methylbenzimidazol-2-yl)thio]acetamide
  • N-[(2-chloro-5-nitro-phenyl)methylideneamino]-2-(1-methylbenzimidazol-2-yl)sulfanyl-ethanamide
  • BAS 01809629
  • ST022694

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
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0113 0.1511 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1227 0.0923
Echinococcus granulosus tumor susceptibility gene 101 protein 0.0082 0.1013 0.8039
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.017 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0638 1 1
Loa Loa (eye worm) hypothetical protein 0.0152 0.2148 0.4209
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.1227 0.7969
Brugia malayi hypothetical protein 0.0027 0.0133 0.0271
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0095 0.1227 0.2284
Echinococcus multilocularis tumor susceptibility gene 101 protein 0.0082 0.1013 0.8039
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0638 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0451 0.0121
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0113 0.1511 1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0071 0.0845 0.5235
Schistosoma mansoni tsg101-related 0.0068 0.0791 0.6018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.056 0.3904
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1227 0.0923
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.017 0.0404
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1227 0.0923
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0071 0.0845 0.6506
Trypanosoma brucei calpain-like protein, putative 0.0113 0.1511 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0113 0.1511 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0113 0.1511 1
Trichomonas vaginalis CAMK family protein kinase 0.0047 0.0451 0.0121
Brugia malayi Temporarily assigned gene name protein 44 0.0027 0.0133 0.0271
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0638 1 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0312 0.4727 1
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.017 0.0404
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0113 0.1511 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.056 0.0891
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0095 0.1227 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.056 0.3904
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.056 0.3904
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0113 0.1511 1
Schistosoma mansoni serine/threonine protein kinase 0.0095 0.1227 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0113 0.1511 1
Loa Loa (eye worm) tumor suppressor 0.0324 0.4921 1
Schistosoma mansoni tsg101-related 0.0068 0.0791 0.6018
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0845 0.6506
Treponema pallidum fructose-bisphosphate aldolase 0.0638 1 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0113 0.1511 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0071 0.0845 0.6506
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0113 0.1511 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0095 0.1227 1
Brugia malayi hypothetical protein 0.0082 0.1013 0.2058
Toxoplasma gondii aldehyde dehydrogenase 0.0071 0.0845 1
Onchocerca volvulus 0.0152 0.2148 1
Brugia malayi hypothetical protein 0.0152 0.2148 0.4366
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1227 0.0923
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0113 0.1511 1
Schistosoma mansoni tsg101-related 0.0056 0.059 0.4175
Trypanosoma brucei calpain, putative 0.0113 0.1511 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0312 0.4727 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.017 0.0076
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0638 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1227 0.0923
Entamoeba histolytica serine/threonine protein kinase, putative 0.0095 0.1227 0.0677
Trypanosoma brucei hypothetical protein 0.0113 0.1511 1
Schistosoma mansoni aldehyde dehydrogenase 0.0071 0.0845 0.6506
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.017 0.0404
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0638 1 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.056 0.1138
Brugia malayi serine/threonine-protein kinase plk-2 0.0095 0.1227 0.2493
Schistosoma mansoni kinase 0.0048 0.0471 0.3093
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.056 0.3904
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0113 0.1511 1
Brugia malayi tumor suppressor. 0.0324 0.4921 1
Giardia lamblia Fructose-bisphosphate aldolase 0.0638 1 1
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0095 0.1227 0.7969
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.056 0.3904
Trypanosoma brucei variant surface glycoprotein (VSG), putative 0.0113 0.1511 1
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.017 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0638 1 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0638 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1227 0.0923
Trypanosoma cruzi polo-like protein kinase, putative 0.0095 0.1227 0.7969
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.056 0.3904
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.056 0.3904
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0638 1 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0113 0.1511 1
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0113 0.1511 1
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0113 0.1511 1
Trichomonas vaginalis CAMK family protein kinase 0.0095 0.1227 0.0923
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.017 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0638 1 1
Leishmania major hypothetical protein, conserved 0.003 0.017 0.0404
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0312 0.4727 1
Loa Loa (eye worm) hypothetical protein 0.0082 0.1013 0.1836
Brugia malayi hypothetical protein 0.003 0.017 0.0345
Trypanosoma brucei polo-like protein kinase 0.0095 0.1227 0.7969

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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