Detailed information for compound 1644995

Basic information

Technical information
  • TDR Targets ID: 1644995
  • Name: 1-(4-chlorophenyl)-2-[3,5-dichloro-4-(2-chlor o-4-nitrophenoxy)phenyl]sulfonylguanidine
  • MW: 550.199 | Formula: C19H12Cl4N4O5S
  • H donors: 2 H acceptors: 4 LogP: 5.8 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 2
  • SMILES: Clc1ccc(cc1)/N=C(/NS(=O)(=O)c1cc(Cl)c(c(c1)Cl)Oc1ccc(cc1Cl)[N+](=O)[O-])\N
  • InChi: 1S/C19H12Cl4N4O5S/c20-10-1-3-11(4-2-10)25-19(24)26-33(30,31)13-8-15(22)18(16(23)9-13)32-17-6-5-12(27(28)29)7-14(17)21/h1-9H,(H3,24,25,26)
  • InChiKey: BQXSHLSSKFEOEN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-chlorophenyl)-2-[3,5-dichloro-4-(2-chloro-4-nitro-phenoxy)phenyl]sulfonyl-guanidine
  • NSC707407
  • NCI60_038133

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 granulosus DNA dependent protein kinase catalytic subunit 0.0237 0.0477 0.0451
Trichomonas vaginalis PIKK family atypical protein kinase 0.2732 0.7392 0.7388
Trichomonas vaginalis PIKK family atypical protein kinase 0.2195 0.5903 0.5898
Trichomonas vaginalis PIKK family atypical protein kinase 0.198 0.5309 0.5302
Trichomonas vaginalis PIKK family atypical protein kinase 0.2732 0.7392 0.7388
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0477 0.0451
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0237 0.0477 0.0464
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.3673 1 1
Plasmodium vivax hypothetical protein, conserved 0.0237 0.0477 0.5
Echinococcus granulosus phosphatidylinositol 4 phosphate 3 kinase C2 0.0237 0.0477 0.0451
Echinococcus multilocularis serine:threonine protein kinase SMG1 0.0695 0.1746 0.1723
Toxoplasma gondii target of rapamycin (TOR), putative 0.2732 0.7392 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.1232 0.3234 0.3225
Schistosoma mansoni phosphatidylinositol 3-kinase class 0.0237 0.0477 0.0433
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0458 0.1089 0.0642
Entamoeba histolytica Phosphatidylinositol 3- and 4-kinase family 0.0695 0.1746 0.1332
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0237 0.0477 0.0464
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0477 0.0477
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.3673 1 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.2924 0.7926 0.7822
Trichomonas vaginalis conserved hypothetical protein 0.0774 0.1966 0.1955
Loa Loa (eye worm) hypothetical protein 0.0774 0.1966 0.1966
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.3673 1 1
Brugia malayi FAT domain containing protein 0.0537 0.1309 0.1285
Onchocerca volvulus 0.0237 0.0477 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0695 0.1746 0.1735
Onchocerca volvulus 0.0237 0.0477 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0237 0.0477 0.0464
Loa Loa (eye worm) hypothetical protein 0.0237 0.0477 0.0477
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.3673 1 1
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.3673 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.2732 0.7392 0.7388
Trypanosoma cruzi target of rapamycin kinase 3 0.2924 0.7926 0.7822
Trichomonas vaginalis conserved hypothetical protein 0.0537 0.1309 0.1297
Trichomonas vaginalis PIKK family atypical protein kinase 0.2732 0.7392 0.7388
Trichomonas vaginalis PIKK family atypical protein kinase 0.2464 0.6649 0.6644
Trypanosoma cruzi phosphatidylinositol 3-kinase, putative 0.0695 0.1746 0.1332
Echinococcus multilocularis serine protein kinase ATM 0.0695 0.1746 0.1723
Trichomonas vaginalis PIKK family atypical protein kinase 0.0237 0.0477 0.0464
Trichomonas vaginalis phosphatidylinositol 4-kinase, putative 0.0237 0.0477 0.0464
Mycobacterium tuberculosis Conserved hypothetical protein 0.0237 0.0477 0.5
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0237 0.0477 0.0464
Trichomonas vaginalis PIKK family atypical protein kinase 0.2732 0.7392 0.7388
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0695 0.1746 0.1332
Echinococcus multilocularis 0.0237 0.0477 0.0451
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0477 0.0451
Trichomonas vaginalis PIKK family atypical protein kinase 0.1232 0.3234 0.3225
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0695 0.1746 0.1723
Entamoeba histolytica protein kinase rad3, putative 0.0695 0.1746 0.1332
Loa Loa (eye worm) phosphatidylinositol 3 0.1232 0.3234 0.3234
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.3673 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.198 0.5309 0.5302
Echinococcus granulosus phosphatidylinositol 4 kinase beta 0.0237 0.0477 0.0451
Echinococcus multilocularis Zinc finger, PHD finger 0.0237 0.0477 0.0451
Trichomonas vaginalis PIKK family atypical protein kinase 0.2921 0.7917 0.7914
Trichomonas vaginalis PIKK family atypical protein kinase 0.1983 0.5317 0.5311
Trypanosoma brucei FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative 0.1525 0.4049 0.375
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0477 0.0477
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.1232 0.3234 0.3203
Trichomonas vaginalis PIKK family atypical protein kinase 0.0695 0.1746 0.1735
Echinococcus granulosus PIK kinase FAT and Armadillo domain containing protein 0.0537 0.1309 0.1285
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0237 0.0477 0.0433
Echinococcus granulosus phosphatidylinositol 3 kinase catalytic subunit 0.0237 0.0477 0.0451
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0237 0.0477 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.3673 1 1
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0237 0.0477 0.0464
Loa Loa (eye worm) hypothetical protein 0.0458 0.1089 0.1089
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.1232 0.3234 0.3216
Trichomonas vaginalis PIKK family atypical protein kinase 0.3673 1 1
Echinococcus granulosus phosphatidylinositol 45 bisphosphate 3 kinase 0.0237 0.0477 0.0451
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0237 0.0477 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.0985 0.2552 0.2542
Plasmodium falciparum phosphatidylinositol 3- and 4-kinase, putative 0.0237 0.0477 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2173 0.5843 0.5837
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0237 0.0477 0.0464
Trichomonas vaginalis phosphatidylinositol 3-kinase class, putative 0.0237 0.0477 0.0464
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0237 0.0477 0.0451
Loa Loa (eye worm) hypothetical protein 0.0748 0.1895 0.1895
Trichomonas vaginalis PIKK family atypical protein kinase 0.2384 0.6429 0.6424
Trichomonas vaginalis conserved hypothetical protein 0.0458 0.1089 0.1077
Trichomonas vaginalis PIKK family atypical protein kinase 0.1232 0.3234 0.3225
Echinococcus multilocularis Phosphatidylinositol 4 kinase type 2 beta 0.0237 0.0477 0.0451
Trichomonas vaginalis PIKK family atypical protein kinase 0.1232 0.3234 0.3225
Plasmodium falciparum phosphatidylinositol 4-kinase 0.0237 0.0477 0.5
Loa Loa (eye worm) phosphatidylinositol 3 0.3673 1 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0695 0.1746 0.1735
Giardia lamblia GTOR 0.3673 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase 0.0237 0.0477 0.0433
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.3673 1 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0477 0.0451
Trichomonas vaginalis PIKK family atypical protein kinase 0.1232 0.3234 0.3225
Plasmodium falciparum phosphatidylinositol 3-kinase 0.0237 0.0477 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.3136 0.8512 0.851
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0237 0.0477 0.0433
Trichomonas vaginalis phopsphatidylinositol 3-kinase, drosophila, putative 0.0237 0.0477 0.0464
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0477 0.0451
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.1737 0.4635 0.4366
Trichomonas vaginalis PIKK family atypical protein kinase 0.2921 0.7917 0.7914
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0237 0.0477 0.0464
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0477 0.0477
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0075 0.0027 0.0027
Echinococcus multilocularis phosphatidylinositol 4 phosphate 3 kinase C2 0.0237 0.0477 0.0451
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0695 0.1746 0.1332
Echinococcus granulosus phosphatidylinositol 4 kinase alpha 0.0237 0.0477 0.0451
Schistosoma mansoni fkbp-rapamycin associated protein 0.0695 0.1746 0.1708
Trichomonas vaginalis PIKK family atypical protein kinase 0.1983 0.5317 0.5311
Echinococcus multilocularis phosphatidylinositol 4 kinase alpha 0.0237 0.0477 0.0451
Trichomonas vaginalis PIKK family atypical protein kinase 0.2732 0.7392 0.7388
Brugia malayi phosphatidylinositol 4-kinase, catalytic, alpha polypeptide 0.0237 0.0477 0.0451
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.3673 1 1
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0237 0.0477 0.0451
Plasmodium vivax phosphatidylinositol 3- and 4-kinase, putative 0.0237 0.0477 0.5
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.1232 0.3234 0.3216
Echinococcus granulosus serine protein kinase ATM 0.0695 0.1746 0.1723
Echinococcus multilocularis PIK kinase, FAT and Armadillo domain containing protein 0.0537 0.1309 0.1285
Schistosoma mansoni hypothetical protein 0.0237 0.0477 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.1983 0.5317 0.5311
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative 0.0237 0.0477 0.0464
Trichomonas vaginalis PIKK family atypical protein kinase 0.2921 0.7917 0.7914
Echinococcus granulosus serine:threonine protein kinase SMG1 0.0695 0.1746 0.1723
Plasmodium vivax phosphatidylinositol 4-kinase, putative 0.0237 0.0477 0.5
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0695 0.1746 0.1708
Loa Loa (eye worm) phosphatidylinositol kinase 0.0237 0.0477 0.0477
Trichomonas vaginalis PIKK family atypical protein kinase 0.2921 0.7917 0.7914
Entamoeba histolytica hypothetical protein 0.0695 0.1746 0.1332
Trichomonas vaginalis PIKK family atypical protein kinase 0.1983 0.5317 0.5311
Mycobacterium leprae conserved hypothetical protein 0.0237 0.0477 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0477 0.0451
Loa Loa (eye worm) hypothetical protein 0.0237 0.0477 0.0477
Trichomonas vaginalis PIKK family atypical protein kinase 0.2732 0.7392 0.7388
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.3673 1 1
Schistosoma mansoni phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K 0.0237 0.0477 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.2173 0.5843 0.5837
Trichomonas vaginalis PIKK family atypical protein kinase 0.198 0.5309 0.5302
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0237 0.0477 0.0464
Echinococcus multilocularis phosphatidylinositol 4,5 bisphosphate 3 kinase 0.0237 0.0477 0.0451
Plasmodium vivax phosphatidylinositol 3-kinase, putative 0.0237 0.0477 0.5
Trichomonas vaginalis PIKK family atypical protein kinase 0.2195 0.5903 0.5898
Schistosoma mansoni hypothetical protein 0.0537 0.1309 0.1269
Trichomonas vaginalis PIKK family atypical protein kinase 0.0458 0.1089 0.1077
Trichomonas vaginalis phosphatidylinositol 3-kinase catalytic subunit gamma, putative 0.0237 0.0477 0.0464
Loa Loa (eye worm) phosphatidylinositol 4-kinase type 3 alpha isoform 1 0.0237 0.0477 0.0477
Trypanosoma brucei target of rapamycin kinase 3, putative 0.2924 0.7926 0.7822
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0477 0.0477
Loa Loa (eye worm) phosphatidylinositol 3 0.0237 0.0477 0.0477
Echinococcus granulosus Phosphatidylinositol 4 kinase type 2 beta 0.0237 0.0477 0.0451
Toxoplasma gondii non-specific serine/threonine protein kinase 0.0774 0.1966 0.2153
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.3673 1 1
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.1232 0.3234 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.1232 0.3234 0.3216
Trichomonas vaginalis PIKK family atypical protein kinase 0.2195 0.5903 0.5898
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1232 0.3234 0.2895
Plasmodium vivax hypothetical protein 0.0237 0.0477 0.5
Toxoplasma gondii FATC domain-containing protein 0.0695 0.1746 0.1835
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.3673 1 1
Schistosoma mansoni phosphatidylinositol 4-kinase type-II 0.0237 0.0477 0.0433
Trichomonas vaginalis PIKK family atypical protein kinase 0.3673 1 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.1232 0.3234 0.2895
Trichomonas vaginalis phosphatidylinositol kinase, putative 0.0237 0.0477 0.0464
Trichomonas vaginalis PIKK family atypical protein kinase 0.2921 0.7917 0.7914
Loa Loa (eye worm) hypothetical protein 0.0695 0.1746 0.1746
Leishmania major phosphatidylinositol 3-kinase, putative 0.1232 0.3234 0.2895
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0695 0.1746 0.1723
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0237 0.0477 0.0451
Leishmania major phosphatidylinositol 3-related kinase, putative 0.1232 0.3234 0.2895
Echinococcus multilocularis DNA dependent protein kinase catalytic subunit 0.0237 0.0477 0.0451
Loa Loa (eye worm) hypothetical protein 0.0537 0.1309 0.1309
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.1232 0.3234 0.2895

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.804 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the DU-145 Prostate cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.795 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.78 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.779 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.778 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.775 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.764 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.756 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.741 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.726 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MALME-3M Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference

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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