Detailed information for compound 236733

Basic information

Technical information
  • TDR Targets ID: 236733
  • Name: N-[(3-chlorophenyl)methyl]-N-methylnitrous am ide
  • MW: 184.623 | Formula: C8H9ClN2O
  • H donors: 0 H acceptors: 1 LogP: 2.31 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=NN(Cc1cccc(c1)Cl)C
  • InChi: 1S/C8H9ClN2O/c1-11(10-12)6-7-3-2-4-8(9)5-7/h2-5H,6H2,1H3
  • InChiKey: YALMLCXXHQHFJI-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-[(3-chlorophenyl)methyl]-N-methyl-nitrous amide
  • N-(3-chlorobenzyl)-N-methyl-nitrous amide
  • 98736-46-0
  • CCRIS 2564
  • N-Nitroso-N-(3-chlorobenzyl)methylamine

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
Brugia malayi Hsp90 protein 0.0035 0.0059 0.0059
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0038 0.0069 0.1294
Trypanosoma cruzi heat shock protein 85, putative 0.0045 0.0093 0.0206
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0115 0.4406
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0261 1
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0049 0.0109 0.5
Trypanosoma brucei heat shock protein 90, putative 0.0052 0.012 0.016
Trypanosoma brucei Heat shock protein 83, putative 0.0052 0.012 0.016
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0115 0.4406
Echinococcus multilocularis expressed protein 0.0038 0.007 0.27
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0115 0.4406
Echinococcus multilocularis endoplasmin 0.0049 0.0109 0.4171
Schistosoma mansoni chromobox protein 0.0067 0.0172 0.661
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0079 0.2107
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Schistosoma mansoni endoplasmin 0.0052 0.012 0.4602
Trichomonas vaginalis endoplasmin, putative 0.0038 0.007 0.171
Trypanosoma cruzi heat shock protein 90, putative 0.0052 0.012 0.0274
Echinococcus multilocularis tar DNA binding protein 0.0073 0.019 0.7286
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0136 0.0136
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0045 0.0093 0.3588
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0172 0.6163
Entamoeba histolytica serine/threonine protein kinase, putative 0.0093 0.0261 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0097 0.2902
Trichomonas vaginalis chromobox protein, putative 0.0041 0.0079 0.2107
Trypanosoma brucei heat shock protein, putative 0.0052 0.012 0.016
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0261 1
Loa Loa (eye worm) RNA binding protein 0.0073 0.019 0.019
Echinococcus granulosus chromobox protein 1 0.0067 0.0172 0.661
Trypanosoma brucei heat shock protein, putative 0.0052 0.012 0.016
Giardia lamblia Kinase, PLK 0.0093 0.0261 1
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0035 0.0059 0.2246
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Schistosoma mansoni heat shock protein 0.0052 0.012 0.4602
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Entamoeba histolytica heat shock protein 90, putative 0.0052 0.012 0.3038
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0261 1
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Echinococcus granulosus endoplasmin 0.0049 0.0109 0.4171
Schistosoma mansoni hypothetical protein 0.0039 0.0073 0.2803
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Schistosoma mansoni tar DNA-binding protein 0.0073 0.019 0.7286
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0035 0.0059 0.0823
Trypanosoma brucei heat shock protein, putative 0.0052 0.012 0.016
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0069 0.1672
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0051 0.0115 0.0115
Trypanosoma brucei heat shock protein, putative 0.0052 0.012 0.016
Loa Loa (eye worm) heat shock protein 90 0.0052 0.012 0.012
Trypanosoma brucei heat shock protein, putative 0.0052 0.012 0.016
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0261 0.0637
Schistosoma mansoni kinase 0.0047 0.0101 0.3894
Mycobacterium ulcerans heat shock protein 90 0.0049 0.0109 0.5
Brugia malayi TAR-binding protein 0.0073 0.019 0.019
Schistosoma mansoni endoplasmin 0.0052 0.012 0.4602
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0037 0.0067 0.0138
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0093 0.0261 1
Trichomonas vaginalis CAMK family protein kinase 0.0046 0.0097 0.2902
Trichomonas vaginalis heat shock protein, putative 0.003 0.0043 0.0562
Treponema pallidum heat shock protein 90 0.0049 0.0109 0.5
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0037 0.0067 0.0023
Echinococcus multilocularis chromobox protein 1 0.0067 0.0172 0.661
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0093 0.0261 0.0261
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Trypanosoma brucei heat shock protein, putative 0.0052 0.012 0.016
Loa Loa (eye worm) endoplasmin 0.0052 0.012 0.012
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0073 0.019 0.019
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0093 0.0261 1
Giardia lamblia Grp94/Hsp90 0.0049 0.0109 0.0909
Echinococcus granulosus tar DNA binding protein 0.0073 0.019 0.7286
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0115 0.4406
Brugia malayi chromobox protein homolog 3 0.0038 0.0069 0.0069
Trichomonas vaginalis heat shock protein, putative 0.0049 0.0109 0.3401
Loa Loa (eye worm) hypothetical protein 0.0038 0.0069 0.0069
Trypanosoma cruzi polo-like protein kinase, putative 0.0093 0.0261 0.0637
Loa Loa (eye worm) hypothetical protein 0.0057 0.0136 0.0136
Trypanosoma cruzi heat shock protein 90, putative 0.0045 0.0093 0.0206
Trypanosoma brucei malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1134 0.3891 1
Brugia malayi heat shock protein 90 0.0052 0.012 0.012
Trichomonas vaginalis heat shock protein, putative 0.0052 0.012 0.3889
Trypanosoma cruzi heat shock protein 85, putative 0.0052 0.012 0.0274
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0041 0.0079 0.1748
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0261 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0051 0.0115 0.4406
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0261 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0136 0.0136
Schistosoma mansoni heat shock protein 0.0052 0.012 0.4602
Echinococcus multilocularis heat shock protein 90 0.0045 0.0093 0.3588
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.007 0.1735
Trichomonas vaginalis heat shock protein, putative 0.0049 0.0109 0.3401
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0261 1
Schistosoma mansoni rotamase 0.0038 0.007 0.27
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0049 0.0109 0.0131
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0069 0.1672
Plasmodium falciparum heat shock protein 90, putative 0.0199 0.063 1
Trypanosoma brucei polo-like protein kinase 0.0093 0.0261 0.0527
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0037 0.0067 0.0429
Schistosoma mansoni heat shock protein 0.0035 0.0059 0.2246
Plasmodium vivax heat shock protein 86, putative 0.0052 0.012 0.1074
Schistosoma mansoni serine/threonine protein kinase 0.0093 0.0261 1
Trypanosoma brucei heat shock protein, putative 0.0052 0.012 0.016
Trichomonas vaginalis rotamase, putative 0.0038 0.007 0.1735
Echinococcus granulosus chromobox protein 1 0.0067 0.0172 0.661
Brugia malayi RNA recognition motif domain containing protein 0.0073 0.019 0.019
Loa Loa (eye worm) hypothetical protein 0.2887 1 1
Entamoeba histolytica heat shock protein 90, putative 0.0052 0.012 0.3038
Echinococcus granulosus heat shock protein 0.0052 0.012 0.4602
Trichomonas vaginalis chromobox protein, putative 0.0067 0.0172 0.6163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0051 0.0115 0.4406
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Echinococcus granulosus expressed protein 0.0038 0.007 0.27
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0093 0.2741
Plasmodium vivax heat shock protein, putative 0.0199 0.063 1
Schistosoma mansoni chromobox protein 0.0067 0.0172 0.661
Trypanosoma cruzi heat shock protein 85, putative 0.0052 0.012 0.0274
Plasmodium falciparum heat shock protein 90 0.0052 0.012 0.1305
Loa Loa (eye worm) heterochromatin protein 1 0.0067 0.0172 0.0172
Schistosoma mansoni tar DNA-binding protein 0.0073 0.019 0.7286
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0051 0.0115 0.0115
Onchocerca volvulus Serine\/threonine kinase homolog 0.0093 0.0261 1
Echinococcus granulosus heat shock protein 90 0.0045 0.0093 0.3588
Trypanosoma brucei heat shock protein, putative 0.0052 0.012 0.016
Brugia malayi Heterochromatin protein 1 0.0067 0.0172 0.0172
Loa Loa (eye worm) TAR-binding protein 0.0073 0.019 0.019
Echinococcus granulosus heat shock protein 90 0.0052 0.012 0.4602
Trypanosoma cruzi heat shock protein 85, putative 0.0052 0.012 0.0274
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Wolbachia endosymbiont of Brugia malayi malonyl-CoA decarboxylase 0.2887 1 1
Giardia lamblia Heat shock protein HSP 90-alpha 0.0052 0.012 0.1581
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0038 0.007 0.007
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0035 0.0059 0.2246
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Toxoplasma gondii heat shock protein HSP90 0.0052 0.012 0.1074
Trypanosoma cruzi heat shock protein, putative 0.0035 0.0059 0.0116
Trichomonas vaginalis heat shock protein, putative 0.0038 0.007 0.171
Plasmodium vivax endoplasmin, putative 0.0052 0.012 0.1074
Toxoplasma gondii peptidylprolyl isomerase 0.0037 0.0067 0.0152
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0051 0.0115 0.4406
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0049 0.0109 0.5
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0093 0.0261 0.0527
Echinococcus multilocularis heat shock protein 90 0.0052 0.012 0.4602
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0038 0.007 0.007
Brugia malayi Endoplasmin precursor 0.0052 0.012 0.012
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0136 0.0136
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0073 0.0073
Toxoplasma gondii heat shock protein 90, putative 0.0052 0.012 0.1074
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1134 0.3891 1
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0037 0.0067 0.0023
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Leishmania major malonyl-coa decarboxylase-like protein 0.1134 0.3891 1
Toxoplasma gondii Hsp90 domain-containing protein 0.0199 0.063 1
Trichomonas vaginalis rotamase, putative 0.0037 0.0067 0.1599
Schistosoma mansoni tar DNA-binding protein 0.0073 0.019 0.7286
Schistosoma mansoni tar DNA-binding protein 0.0073 0.019 0.7286
Leishmania major heat shock protein 83-1 0.0052 0.012 0.016
Echinococcus multilocularis chromobox protein 1 0.0067 0.0172 0.661
Schistosoma mansoni tar DNA-binding protein 0.0073 0.019 0.7286
Plasmodium falciparum endoplasmin, putative 0.0038 0.007 0.045
Loa Loa (eye worm) hypothetical protein 0.0039 0.0073 0.0073
Trypanosoma cruzi malonyl-CoA decarboxylase, mitochondrial precursor, putative 0.1134 0.3891 1
Loa Loa (eye worm) heat shock protein 75 0.0035 0.0059 0.0059
Echinococcus multilocularis heat shock protein 0.0052 0.012 0.4602
Trypanosoma brucei heat shock protein 90, putative 0.0052 0.012 0.016
Brugia malayi RNA binding protein 0.0073 0.019 0.019
Brugia malayi serine/threonine-protein kinase plk-2 0.0093 0.0261 0.0261
Trichomonas vaginalis CAMK family protein kinase 0.0093 0.0261 1
Loa Loa (eye worm) hypothetical protein 0.003 0.004 0.004
Trypanosoma cruzi Heat shock protein 83, putative 0.0052 0.012 0.0274
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0037 0.0067 0.0138

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 15 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells. Activity expressed as no. of cells ChEMBL. 3510299
Activity (functional) = 15 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells. ChEMBL. 3510299
Activity (functional) = 17 Mutagenicity against Salmonella tester strain TA 1535 without hamster S9 mix (3 mg/plate) in cells. ChEMBL. 3510299
Activity (functional) = 18 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells. ChEMBL. 3510299
Log 1/C (ADMET) = -1.512 Concentration in nanomoles/plate to induce 50 revertants/plate. ChEMBL. 3510299
No. of revertants per plate (functional) = 12 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 2.5 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 13 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 25 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 13 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 1000 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 15 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 10 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 15 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 500 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 17 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 5 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 20 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 1 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 20 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 250 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 21 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 50 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 22 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 5 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 23 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 1 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 26 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 2.5 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 40 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with out hamster S9 mix (3 mg/plate) in cells at dose of 100 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 62 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 10 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 128 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 25 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 180 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 100 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 215 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 500 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 217 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 50 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 221 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 250 ug ChEMBL. 3510299
No. of revertants per plate (functional) = 302 compound was tested for mutagenicity against Salmonella tester strain TA 1535 with hamster S9 mix (3 mg/plate) in cells at dose of 1000 ug ChEMBL. 3510299

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

1 literature reference was collected for this gene.

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