Detailed information for compound 1435472

Basic information

Technical information
  • TDR Targets ID: 1435472
  • Name: [(amino-pyridin-4-ylmethylidene)amino] 2,5-di chlorobenzenesulfonate
  • MW: 346.189 | Formula: C12H9Cl2N3O3S
  • H donors: 1 H acceptors: 3 LogP: 2.65 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(c(c1)S(=O)(=O)ONC(=N)c1ccncc1)Cl
  • InChi: 1S/C12H9Cl2N3O3S/c13-9-1-2-10(14)11(7-9)21(18,19)20-17-12(15)8-3-5-16-6-4-8/h1-7H,(H2,15,17)
  • InChiKey: KJOOYTZMKNYQID-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [[amino-(4-pyridyl)methylene]amino] 2,5-dichlorobenzenesulfonate
  • 2,5-dichlorobenzenesulfonic acid [[amino-(4-pyridyl)methylene]amino] ester
  • [(amino-pyridin-4-yl-methylidene)amino] 2,5-dichlorobenzenesulfonate
  • MLS000536884
  • N'-{[(2,5-dichlorophenyl)sulfonyl]oxy}-4-pyridinecarboximidamide
  • SMR000143531

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
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.061 0.3676 0.3676
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0579 0.3447 0.3447
Trypanosoma cruzi phosphatidylinositol 3-kinase 2, putative 0.0579 0.3447 0.3447
Trichomonas vaginalis PIKK family atypical protein kinase 0.0358 0.1859 0.4454
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.061 0.3676 1
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0294 0.14 0.4296
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0266 0.1193 0.1193
Trichomonas vaginalis PIKK family atypical protein kinase 0.046 0.2593 0.6213
Loa Loa (eye worm) phosphatidylinositol 3 0.0912 0.5851 1
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.046 0.2593 0.6213
Loa Loa (eye worm) hypothetical protein 0.0294 0.14 0.2392
Trichomonas vaginalis PIKK family atypical protein kinase 0.0679 0.4173 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0679 0.4173 0.7132
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0251 0.1083 0.1083
Echinococcus granulosus geminin 0.0197 0.07 0.07
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.015 0.036 0.036
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0251 0.1083 0.2596
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0424 0.2335 0.5595
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0266 0.1193 0.1193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0266 0.1193 0.2859
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.061 0.3676 0.3676
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0679 0.4173 1
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0478 0.2722 0.7404
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0579 0.3447 0.9378
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0579 0.3447 0.8261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0146 0.0332 0.0796
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0579 0.3447 0.3447
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.3258 0.7808
Trichomonas vaginalis conserved hypothetical protein 0.0165 0.047 0.1127
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.061 0.3676 0.3676
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.3258 0.7808
Loa Loa (eye worm) hypothetical protein 0.0174 0.0529 0.0904
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.015 0.0358 0.0358
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0304 0.147 0.3999
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.061 0.3676 0.3676
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.015 0.0358 0.0358
Echinococcus multilocularis Zinc finger, PHD finger 0.015 0.0358 0.0358
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0679 0.4173 1
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0485 0.2773 0.7544
Trichomonas vaginalis PIKK family atypical protein kinase 0.0165 0.047 0.1127
Onchocerca volvulus 0.01 0 0.5
Entamoeba histolytica protein kinase rad3, putative 0.0266 0.1193 0.3245
Plasmodium falciparum phosphatidylinositol 3-kinase 0.015 0.0358 1
Schistosoma mansoni fkbp-rapamycin associated protein 0.0266 0.1193 0.1193
Trichomonas vaginalis PIKK family atypical protein kinase 0.046 0.2593 0.6213
Trichomonas vaginalis PIKK family atypical protein kinase 0.0506 0.2925 0.7009
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0251 0.1083 0.2947
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.3258 0.7808
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1488 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.015 0.0358 0.0358
Brugia malayi FAT domain containing protein 0.0194 0.0677 0.0677
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.015 0.0358 0.0611
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0405 0.2196 0.2196
Trichomonas vaginalis PIKK family atypical protein kinase 0.0506 0.2926 0.7012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0358 0.1859 0.4454
Entamoeba histolytica hypothetical protein 0.0478 0.2722 0.7404
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0266 0.1193 0.2859
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.061 0.3676 0.8809
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0564 0.3344 0.8013
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.3258 0.7808
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.1013 0.6576 0.6576
Onchocerca volvulus 0.01 0 0.5
Loa Loa (eye worm) hypothetical protein 0.0219 0.0858 0.1466
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0266 0.1193 0.1193
Giardia lamblia Phosphoinositide-3-kinase, class 3 0.0201 0.0726 0.1974
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0405 0.2196 0.2196
Entamoeba histolytica hypothetical protein 0.0266 0.1193 0.3245
Entamoeba histolytica phosphatidylinositol-4,5-bisphosphate 3-kinase, putative 0.015 0.0358 0.0973
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.015 0.0358 1
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.061 0.3676 0.8809
Giardia lamblia Phosphoinositide-3-kinase, catalytic, alpha polypeptide 0.0324 0.1609 0.4378
Loa Loa (eye worm) phosphatidylinositol 3 0.061 0.3676 0.6283
Trichomonas vaginalis PIKK family atypical protein kinase 0.0564 0.3342 0.801
Loa Loa (eye worm) hypothetical protein 0.0266 0.1193 0.2039
Mycobacterium leprae conserved hypothetical protein 0.01 0 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1488 1 1
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0194 0.0677 0.0677
Trypanosoma brucei phosphatidylinositol 4-kinase alpha, putative 0.015 0.0358 0.0857
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0424 0.2335 0.5595
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.015 0.0358 0.1097
Trichomonas vaginalis PIKK family atypical protein kinase 0.046 0.2593 0.6213
Schistosoma mansoni hypothetical protein 0.0194 0.0677 0.0677
Trypanosoma cruzi target of rapamycin kinase 3 0.0564 0.3344 0.3344
Trichomonas vaginalis conserved hypothetical protein 0.0294 0.14 0.3354
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.015 0.0358 0.0358
Giardia lamblia GTOR 0.061 0.3676 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0506 0.2925 0.7009
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0405 0.2196 0.2196
Trichomonas vaginalis PIKK family atypical protein kinase 0.061 0.3676 0.8809
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.015 0.0358 0.0857
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.015 0.0358 0.0857
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0165 0.047 0.047
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.1013 0.6576 0.6576
Loa Loa (eye worm) hypothetical protein 0.0165 0.047 0.0803
Trichomonas vaginalis PIKK family atypical protein kinase 0.0506 0.2925 0.7009
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0251 0.1083 0.1083
Entamoeba histolytica phosphatidylinositol 3-kinase, putative 0.0251 0.1083 0.2947
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.3258 0.7808
Leishmania major phosphatidylinositol 3-kinase, putative 0.015 0.0358 0.0857
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.015 0.0358 0.0857
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.061 0.3676 1
Brugia malayi phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative 0.0434 0.2406 0.2406
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.1013 0.6576 0.6576
Trichomonas vaginalis PIKK family atypical protein kinase 0.0506 0.2926 0.7012
Schistosoma mansoni hypothetical protein 0.0197 0.07 0.07
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1488 1 1
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0193 0.0666 0.1595
Toxoplasma gondii phosphatidylinositol 3- and 4-kinase 0.015 0.0358 0.1097
Entamoeba histolytica phosphatidylinositol 3-kinase 1, putative 0.0478 0.2724 0.7411
Trichomonas vaginalis PIKK family atypical protein kinase 0.0564 0.3342 0.801
Trichomonas vaginalis PIKK family atypical protein kinase 0.0506 0.2926 0.7012
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0251 0.1083 0.2596
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0579 0.3447 0.8261
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0266 0.1193 0.1193
Trichomonas vaginalis PIKK family atypical protein kinase 0.046 0.2593 0.6213
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.015 0.0358 0.0358
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0266 0.1193 0.1193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0518 0.301 0.7214
Trichomonas vaginalis PIKK family atypical protein kinase 0.0399 0.215 0.5151
Trichomonas vaginalis PIKK family atypical protein kinase 0.0485 0.2773 0.6646
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1488 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0416 0.2276 0.5455
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.061 0.3676 0.8809
Loa Loa (eye worm) phosphatidylinositol 3 0.015 0.036 0.0616
Trichomonas vaginalis PIKK family atypical protein kinase 0.0266 0.1193 0.2859
Toxoplasma gondii target of rapamycin (TOR), putative 0.0552 0.3258 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.3258 0.7808
Loa Loa (eye worm) hypothetical protein 0.0219 0.0858 0.1466
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.015 0.0358 0.0358
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1488 1 1
Leishmania major phosphatidylinositol 3-kinase, putative 0.046 0.2593 0.6213
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0251 0.1083 0.2596
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.015 0.0358 0.0358
Echinococcus multilocularis geminin 0.0197 0.07 0.07
Loa Loa (eye worm) hypothetical protein 0.0405 0.2196 0.3753
Trichomonas vaginalis conserved hypothetical protein 0.0194 0.0677 0.1622
Trichomonas vaginalis PIKK family atypical protein kinase 0.061 0.3676 0.8809
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0194 0.0677 0.0677
Trichomonas vaginalis PIKK family atypical protein kinase 0.0552 0.3258 0.7808
Trichomonas vaginalis PIKK family atypical protein kinase 0.0518 0.301 0.7214
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0579 0.3447 0.8261
Trichomonas vaginalis PIKK family atypical protein kinase 0.0506 0.2926 0.7012
Trichomonas vaginalis PIKK family atypical protein kinase 0.0564 0.3342 0.801
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0251 0.1083 0.2596
Echinococcus granulosus serine protein kinase ATM 0.0266 0.1193 0.1193
Loa Loa (eye worm) hypothetical protein 0.0194 0.0677 0.1157
Trichomonas vaginalis PIKK family atypical protein kinase 0.0564 0.3342 0.801
Trichomonas vaginalis PIKK family atypical protein kinase 0.061 0.3676 0.8809
Echinococcus multilocularis serine protein kinase ATM 0.0266 0.1193 0.1193
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0268 0.1208 1
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0564 0.3344 0.8013
Entamoeba histolytica phosphatidylinositol 4-kinase, putative 0.015 0.0358 0.0973
Trypanosoma cruzi phosphatidylinositol 4-kinase alpha, putative 0.015 0.0358 0.0358
Toxoplasma gondii FATC domain-containing protein 0.0266 0.1193 0.3661
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0266 0.1193 0.1193
Schistosoma mansoni hypothetical protein 0.0197 0.07 0.07
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.0341 0.1733 0.4154
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.061 0.3676 0.8809
Trichomonas vaginalis PIKK family atypical protein kinase 0.037 0.1943 0.4656
Leishmania major phosphatidylinositol 4-kinase alpha, putative 0.015 0.0358 0.0857
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.061 0.3676 0.3676
Trypanosoma cruzi phosphatidylinositol 3-kinase vps34-like 0.0251 0.1083 0.1083
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.061 0.3676 0.3676
Trichomonas vaginalis PIKK family atypical protein kinase 0.0358 0.1859 0.4454
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0266 0.1193 0.1193
Trichomonas vaginalis PIKK family atypical protein kinase 0.0564 0.3342 0.801

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 18.526 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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