Detailed information for compound 680404

Basic information

Technical information
  • TDR Targets ID: 680404
  • Name: N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl) sulfonylpiperidine-4-carboxamide
  • MW: 427.345 | Formula: C19H20Cl2N2O3S
  • H donors: 1 H acceptors: 3 LogP: 3.59 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1ccc(cc1)Cl)NCc1ccccc1Cl
  • InChi: 1S/C19H20Cl2N2O3S/c20-16-5-7-17(8-6-16)27(25,26)23-11-9-14(10-12-23)19(24)22-13-15-3-1-2-4-18(15)21/h1-8,14H,9-13H2,(H,22,24)
  • InChiKey: HNGBPIMDOCRRNJ-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-piperidine-4-carboxamide
  • N-[(2-chlorophenyl)methyl]-1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxamide
  • N-(2-chlorobenzyl)-1-(4-chlorophenyl)sulfonyl-isonipecotamide
  • ZINC02998175
  • 1-(4-Chloro-benzenesulfonyl)-piperidine-4-carboxylic acid 2-chloro-benzylamide
  • BAS 05689736
  • STK072871

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
Mycobacterium ulcerans galactokinase 0.0238 1 1
Trypanosoma cruzi galactokinase-like protein, putative 0.0201 0.8394 0.8148
Echinococcus granulosus N acetylgalactosamine kinase 0.0122 0.5004 0.4991
Treponema pallidum hypothetical protein 0.0232 0.9752 1
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.367 0.477
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.01 0.0074
Mycobacterium ulcerans 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0232 0.9752 0.9714
Loa Loa (eye worm) galactokinase 0.0122 0.5004 0.6457
Trypanosoma cruzi polo-like protein kinase, putative 0.0184 0.7694 0.734
Entamoeba histolytica galactokinase, putative 0.0238 1 1
Trypanosoma cruzi polo-like protein kinase, putative 0.0184 0.7694 0.734
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2283 0.1098
Loa Loa (eye worm) cytochrome P450 family protein 0.0022 0.0686 0.0771
Trypanosoma brucei homoserine kinase 0.0088 0.3513 0.343
Echinococcus granulosus Mevalonate galactokinase 0.0088 0.3513 0.3496
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1668 0.2141
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1668 0.1646
Leishmania major phosphomevalonate kinase protein, putative 0.0088 0.3513 0.2517
Mycobacterium ulcerans homoserine kinase 0.0088 0.3513 0.2517
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.7694 1
Trichomonas vaginalis galactokinase, putative 0.0122 0.5004 0.6504
Trypanosoma cruzi fucose kinase, putative 0.0051 0.1907 0.0665
Trichomonas vaginalis CAMK family protein kinase 0.0091 0.367 0.477
Brugia malayi CXXC zinc finger family protein 0.0028 0.0938 0.1109
Trypanosoma brucei phosphomevalonate kinase protein, putative 0.0088 0.3513 0.343
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0184 0.7694 0.734
Trichomonas vaginalis galactokinase, putative 0.0122 0.5004 0.6504
Brugia malayi diphosphomevalonate decarboxylase family protein 0.0037 0.1331 0.1626
Wolbachia endosymbiont of Brugia malayi 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0232 0.9752 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1668 0.2141
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2283 0.1098
Loa Loa (eye worm) hypothetical protein 0.0037 0.1331 0.1621
Brugia malayi galactokinase family protein 0.0122 0.5004 0.646
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.7694 1
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0938 0.1103
Trichomonas vaginalis conserved hypothetical protein 0.0037 0.1331 0.173
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1668 0.2064
Trichomonas vaginalis galactokinase, putative 0.0122 0.5004 0.6504
Trichomonas vaginalis galactokinase, putative 0.0122 0.5004 0.6504
Onchocerca volvulus Serine\/threonine kinase homolog 0.0184 0.7694 1
Schistosoma mansoni kinase 0.0094 0.3775 0.4889
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.7694 1
Schistosoma mansoni cpg binding protein 0.0028 0.0938 0.1189
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1668 0.2069
Brugia malayi serine/threonine-protein kinase plk-2 0.0184 0.7694 1
Trichomonas vaginalis galactokinase, putative 0.0051 0.1907 0.2479
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1668 0.2141
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.2283 0.1098
Schistosoma mansoni serine/threonine protein kinase 0.0184 0.7694 1
Trypanosoma cruzi fucose kinase, putative 0.0051 0.1907 0.0665
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.01 0.0074
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.2283 0.2263
Trichomonas vaginalis diphosphomevalonate decarboxylase, putative 0.0037 0.1331 0.173
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.7694 1
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.2283 0.0872
Leishmania major homoserine kinase, putative 0.0088 0.3513 0.2517
Trypanosoma cruzi galactokinase, putative 0.0201 0.8394 0.8148
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0184 0.7694 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1668 0.1646
Schistosoma mansoni cpg binding protein 0.003 0.1007 0.1279
Echinococcus granulosus diphosphomevalonate decarboxylase 0.0037 0.1331 0.1308
Schistosoma mansoni cpg binding protein 0.003 0.1007 0.1279
Toxoplasma gondii GHMP kinase, putative 0.0088 0.3513 0.4999
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.7694 1
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2283 0.2943
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0184 0.7694 0.7688
Mycobacterium tuberculosis Probable galactokinase GalK (galactose kinase) 0.0238 1 1
Echinococcus multilocularis Mevalonate galactokinase 0.0088 0.3513 0.3496
Mycobacterium ulcerans mevalonate kinase, Erg12 0.0088 0.3513 0.2517
Trichomonas vaginalis mevalonate kinase, putative 0.0037 0.1331 0.173
Chlamydia trachomatis 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase 0.0182 0.757 0.5
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.2283 0.2943
Plasmodium falciparum 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0144 0.5964 0.5
Leishmania major galactokinase-like protein 0.0238 1 1
Echinococcus multilocularis diphosphomevalonate decarboxylase 0.0037 0.1331 0.1308
Trypanosoma brucei polo-like protein kinase 0.0184 0.7694 1
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0184 0.7694 0.7688
Mycobacterium ulcerans hypothetical protein 0.0108 0.4388 0.3527
Schistosoma mansoni galactokinase 0.0122 0.5004 0.6491
Echinococcus granulosus cpg binding protein 0.003 0.1007 0.0983
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1668 0.1646
Trypanosoma brucei galactokinase-like protein, putative 0.0153 0.6327 0.7852
Trypanosoma brucei mevalonate kinase, putative 0.0088 0.3513 0.343
Brugia malayi Cytochrome P450 family protein 0.0022 0.0686 0.0777
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.2283 0.1098
Trichomonas vaginalis galactokinase, putative 0.0037 0.1331 0.173
Giardia lamblia Mevalonate kinase 0.0088 0.3513 0.343
Trypanosoma cruzi homoserine kinase 0.0088 0.3513 0.2517
Toxoplasma gondii GHMP kinase, N-terminal domain-containing protein 0.0122 0.5004 1
Trypanosoma cruzi galactokinase, putative 0.0238 1 1
Schistosoma mansoni mevalonate kinase 0.0088 0.3513 0.4548
Loa Loa (eye worm) hypothetical protein 0.0088 0.3513 0.4494
Trypanosoma cruzi mevalonate kinase, putative 0.0088 0.3513 0.2517
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.2283 0.1098
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.7694 1
Trichomonas vaginalis CAMK family protein kinase 0.0184 0.7694 1
Echinococcus multilocularis cpg binding protein 0.003 0.1007 0.0983
Schistosoma mansoni diphosphomevalonate decarboxylase 0.0037 0.1331 0.1701
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.2298 0.2962
Mycobacterium leprae Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0232 0.9752 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.2283 0.2263
Trypanosoma cruzi homoserine kinase 0.0088 0.3513 0.2517
Mycobacterium ulcerans phosphomevalonate kinase 0.0088 0.3513 0.2517
Echinococcus multilocularis N acetylgalactosamine kinase 0.0122 0.5004 0.4991
Onchocerca volvulus 0.0037 0.1331 0.0582
Leishmania major mevalonate kinase, putative 0.0088 0.3513 0.2517
Echinococcus multilocularis galactokinase 0.0238 1 1
Brugia malayi mevalonate kinase family protein 0.0088 0.3513 0.4498
Plasmodium vivax 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase, putative 0.0144 0.5964 0.5
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1668 0.1646
Mycobacterium tuberculosis Probable 4-diphosphocytidyl-2-C-methyl-D-erythritol kinase IspE (CMK) (4-(cytidine-5'-diphospho)-2-C-methyl-D-erythritol kinase) 0.0144 0.5964 0.5345
Trypanosoma cruzi galactokinase, putative 0.0238 1 1
Giardia lamblia Kinase, PLK 0.0184 0.7694 1
Mycobacterium tuberculosis Possible D-alpha-D-heptose-7-phosphate kinase HddA 0.0088 0.3513 0.2517

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.