Detailed information for compound 976622

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 223.699 | Formula: C12H14ClNO
  • H donors: 0 H acceptors: 0 LogP: 3.16 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: ClCC1CCC(=NO1)c1ccc(cc1)C
  • InChi: 1S/C12H14ClNO/c1-9-2-4-10(5-3-9)12-7-6-11(8-13)15-14-12/h2-5,11H,6-8H2,1H3
  • InChiKey: GYMQWJHQOZDNKM-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 tuberculosis Possible penicillin-binding protein 0.0223 0.2755 0.7239
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0335 0.0636
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0335 0.0648
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.064 0.1241
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0981
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0114 0.5
Schistosoma mansoni alpha-glucosidase 0.0136 0.1635 0.3059
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0191 0.0245
Echinococcus granulosus lysine specific demethylase 6a 0.0015 0.0081 0.0157
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0286 0.0693
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0057 0.0619 0.0619
Onchocerca volvulus 0.0024 0.0191 0.1367
Schistosoma mansoni hypothetical protein 0.0041 0.0411 0.0649
Schistosoma mansoni hypothetical protein 0.0041 0.0411 0.0649
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0035 0.0336 0.5047
Echinococcus granulosus neutral alpha glucosidase AB 0.0035 0.0336 0.0652
Echinococcus multilocularis lysine specific demethylase 6a 0.0015 0.0081 0.0081
Mycobacterium ulcerans lipase LipD 0.0035 0.0335 0.0604
Brugia malayi Glycosyl hydrolases family 31 protein 0.0035 0.0336 0.0843
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0191 0.0212
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0981
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0335 0.0838
Echinococcus multilocularis cpg binding protein 0.003 0.0277 0.0277
Mycobacterium ulcerans hypothetical protein 0.0024 0.0191 0.0212
Echinococcus multilocularis Niemann Pick C1 protein 0.0099 0.1155 0.1155
Mycobacterium tuberculosis Conserved protein 0.0035 0.0335 0.0636
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0035 0.0336 0.0986
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0286 0.0554
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0981
Brugia malayi CXXC zinc finger family protein 0.0029 0.0256 0.0603
Loa Loa (eye worm) hypothetical protein 0.0018 0.0114 0.0334
Schistosoma mansoni hypothetical protein 0.0041 0.0411 0.0649
Brugia malayi Niemann-Pick C1 protein precursor 0.0099 0.1155 0.3281
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0335 0.0499
Loa Loa (eye worm) hypothetical protein 0.0013 0.0053 0.0157
Echinococcus multilocularis JmjC domain containing protein 4 0.0015 0.0081 0.0081
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0335 0.0335
Brugia malayi Calcitonin receptor-like protein seb-1 0.0099 0.1152 0.3272
Schistosoma mansoni hypothetical protein 0.0031 0.0286 0.0404
Mycobacterium ulcerans beta-lactamase 0.0035 0.0335 0.0604
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0335 0.9935
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0017 0.0102 0.0198
Loa Loa (eye worm) jmjC domain-containing protein 0.0059 0.064 0.1877
Schistosoma mansoni hypothetical protein 0.0041 0.0411 0.0649
Schistosoma mansoni jumonji domain containing protein 0.0057 0.0619 0.1059
Echinococcus granulosus jumonji domain containing 1A 0.0015 0.0081 0.0157
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0238
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0335 0.0604
Echinococcus multilocularis geminin 0.0165 0.2005 0.2005
Treponema pallidum cell division protein FtsZ 0.0302 0.3766 0.5
Trichomonas vaginalis maltase-glucoamylase, putative 0.0035 0.0336 0.0843
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0081 0.0978
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0286 0.0839
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0191 0.041
Brugia malayi jmjC domain containing protein 0.0059 0.064 0.1748
Loa Loa (eye worm) hypothetical protein 0.0018 0.0114 0.0334
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0191 0.0212
Leishmania major hypothetical protein, conserved 0.0035 0.0335 0.9935
Loa Loa (eye worm) glutaminase 0.0274 0.341 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0191 0.125
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0336 0.0843
Echinococcus granulosus expressed conserved protein 0.0093 0.1078 0.2089
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0336 0.2569
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0035 0.0336 0.2569
Schistosoma mansoni hypothetical protein 0.0031 0.0286 0.0404
Loa Loa (eye worm) hypothetical protein 0.0031 0.0286 0.0839
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0335 0.0838
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0099 0.1155 1
Leishmania major alpha glucosidase II subunit, putative 0.0035 0.0336 1
Echinococcus multilocularis phd:f box containing protein 0.0015 0.0081 0.0081
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0336 0.0843
Echinococcus multilocularis lysine specific demethylase 5A 0.0057 0.0619 0.0619
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0286 0.0286
Schistosoma mansoni cpg binding protein 0.0029 0.0256 0.0344
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0335 0.0838
Echinococcus granulosus Niemann Pick C1 protein 0.0141 0.17 0.3294
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0336 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0114 0.0334
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0191 0.041
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0981
Schistosoma mansoni glutaminase 0.0274 0.341 0.6555
Brugia malayi beta-lactamase 0.0035 0.0335 0.0838
Schistosoma mansoni alpha glucosidase 0.0035 0.0336 0.0503
Schistosoma mansoni hypothetical protein 0.0031 0.0286 0.0404
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0335 0.0636
Echinococcus multilocularis GPCR, family 2 0.0031 0.0286 0.0286
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0191 0.0212
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0081 0.0238
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0191 0.125
Brugia malayi jmjC domain containing protein 0.0057 0.0619 0.1685
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0286 0.0693
Echinococcus multilocularis neutral alpha glucosidase AB 0.0035 0.0336 0.0336
Echinococcus granulosus phd:f box containing protein 0.0015 0.0081 0.0157
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0114 0.0034
Loa Loa (eye worm) hypothetical protein 0.0024 0.0191 0.056
Trichomonas vaginalis sucrase-isomaltase, putative 0.0035 0.0336 0.0843
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0114 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0191 0.4867
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0336 0.0843
Mycobacterium ulcerans glutaminase 0.0274 0.341 0.9024
Onchocerca volvulus 0.0035 0.0335 0.2791
Echinococcus multilocularis protein dispatched 1 0.0048 0.0507 0.0507
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0099 0.1152 0.3272
Onchocerca volvulus 0.0035 0.0335 0.2791
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0081 0.0238
Brugia malayi Cell division protein ftsZ 0.0145 0.1748 0.5047
Brugia malayi glutaminase DH11.1 0.0274 0.341 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0336 0.0843
Trichomonas vaginalis esterase, putative 0.0035 0.0335 0.0838
Toxoplasma gondii ABC1 family protein 0.0035 0.0335 0.501
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0335 0.0499
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0335 0.0981
Trichomonas vaginalis glutaminase, putative 0.0274 0.341 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0981
Schistosoma mansoni hypothetical protein 0.0165 0.2005 0.3788
Leishmania major hypothetical protein, conserved 0.0015 0.0081 0.0978
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0191 0.0212
Echinococcus multilocularis dnaJ subfamily B 0.0411 0.5159 0.5159
Mycobacterium tuberculosis Cell division protein FtsZ 0.0302 0.3766 1
Brugia malayi jmjC domain containing protein 0.0015 0.0081 0.0082
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0191 0.4867
Mycobacterium ulcerans cell division protein FtsZ 0.0302 0.3766 1
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.043 0.1123
Brugia malayi jmjC domain containing protein 0.0015 0.0081 0.0082
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0286 0.0554
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0335 0.0636
Loa Loa (eye worm) hypothetical protein 0.0052 0.0553 0.1621
Schistosoma mansoni cpg binding protein 0.003 0.0277 0.0386
Loa Loa (eye worm) hypothetical protein 0.0035 0.0335 0.0981
Schistosoma mansoni niemann-pick C1 (NPC1) 0.01 0.1174 0.2153
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0191 0.0245
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0099 0.1152 0.3377
Echinococcus granulosus lysosomal alpha glucosidase 0.0158 0.1918 0.3717
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0335 0.0636
Echinococcus granulosus dnaJ subfamily B 0.0411 0.5159 1
Schistosoma mansoni hypothetical protein 0.0067 0.0751 0.1319
Loa Loa (eye worm) hypothetical protein 0.0067 0.0751 0.2202
Loa Loa (eye worm) hypothetical protein 0.0099 0.1155 0.3387
Wolbachia endosymbiont of Brugia malayi cell division protein FtsZ 0.0302 0.3766 0.5
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0035 0.0336 0.0843
Loa Loa (eye worm) hypothetical protein 0.0024 0.0191 0.056
Echinococcus multilocularis sterol regulatory element binding protein 0.0042 0.043 0.043
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0335 0.0838
Echinococcus granulosus JmjC domain containing protein 4 0.0015 0.0081 0.0157
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0335 0.0636
Echinococcus multilocularis Niemann Pick C1 protein 0.0141 0.17 0.17
Loa Loa (eye worm) glutaminase 2 0.0274 0.341 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0191 0.0212
Schistosoma mansoni hypothetical protein 0.0165 0.2005 0.3788
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0158 0.1918 0.5623
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0335 0.0838
Echinococcus granulosus cpg binding protein 0.003 0.0277 0.0537
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0336 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0336 0.0843
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.064 0.1101
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0238
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0017 0.0102 0.0102
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0335 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0335 0.0636
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0191 0.0212
Loa Loa (eye worm) hypothetical protein 0.0024 0.0191 0.056
Echinococcus multilocularis jumonji domain containing 1A 0.0015 0.0081 0.0081
Onchocerca volvulus 0.0029 0.0256 0.2009
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0256 0.075
Schistosoma mansoni jumonji/arid domain-containing protein 0.0059 0.064 0.1101
Brugia malayi jmjC domain containing protein 0.0015 0.0081 0.0082
Loa Loa (eye worm) hypothetical protein 0.0018 0.0114 0.0334
Brugia malayi Cell division protein ftsZ 0.0149 0.1801 0.5206
Loa Loa (eye worm) beta-lactamase 0.0035 0.0335 0.0981
Loa Loa (eye worm) hypothetical protein 0.0015 0.0081 0.0238
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0114 0.1293
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0335 0.9935
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0042 0.043 0.1262
Brugia malayi jmjC domain containing protein 0.0015 0.0081 0.0082
Echinococcus granulosus Protein patched homolog 1 0.0042 0.043 0.0834
Echinococcus granulosus sterol regulatory element binding protein 0.0042 0.043 0.0834
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0057 0.0619 0.12
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0335 0.0401
Trypanosoma brucei glucosidase, putative 0.0035 0.0336 1
Mycobacterium leprae cell division protein FtsZ 0.0302 0.3766 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0286 0.0286
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0191 0.041
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0335 0.9935
Toxoplasma gondii histone lysine methyltransferase SET1 0.0055 0.0587 1
Schistosoma mansoni hypothetical protein 0.0411 0.5159 1
Echinococcus granulosus GPCR family 2 0.0031 0.0286 0.0554
Schistosoma mansoni patched 1 0.0042 0.043 0.0688
Loa Loa (eye worm) hypothetical protein 0.0099 0.1152 0.3377
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0015 0.0081 0.0978
Brugia malayi beta-lactamase family protein 0.0035 0.0335 0.0838
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1918 0.1918
Echinococcus multilocularis expressed conserved protein 0.0093 0.1078 0.1078
Brugia malayi Glycosyl hydrolases family 31 protein 0.0158 0.1918 0.5554
Echinococcus multilocularis protein patched 0.0042 0.043 0.043
Loa Loa (eye worm) hypothetical protein 0.0042 0.043 0.1262
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0671 0.1161
Echinococcus multilocularis lysosomal alpha glucosidase 0.0158 0.1918 0.1918
Echinococcus granulosus geminin 0.0165 0.2005 0.3885
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0015 0.0081 0.0978
Schistosoma mansoni hypothetical protein 0.0031 0.0286 0.0404
Brugia malayi latrophilin 2 splice variant baaae 0.0067 0.0751 0.2078
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0191 0.4867
Onchocerca volvulus 0.0092 0.1061 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0335 0.0604
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0191 0.125
Loa Loa (eye worm) hypothetical protein 0.0018 0.0114 0.0334
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0335 0.0636
Mycobacterium leprae Probable lipase LipE 0.0035 0.0335 0.0401
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0191 0.0212
Brugia malayi beta-lactamase family protein 0.0035 0.0335 0.0838
Schistosoma mansoni alpha-glucosidase 0.0136 0.1635 0.3059
Onchocerca volvulus 0.0035 0.0335 0.2791
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0335 0.0604
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0335 0.0636
Echinococcus granulosus Niemann Pick C1 protein 0.0099 0.1155 0.2238
Trichomonas vaginalis alpha-glucosidase, putative 0.0035 0.0336 0.0843
Brugia malayi CHE-14 protein 0.0042 0.043 0.1123
Schistosoma mansoni cpg binding protein 0.003 0.0277 0.0386
Mycobacterium tuberculosis Conserved protein 0.0035 0.0335 0.0636
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0335 0.0838
Loa Loa (eye worm) jmjC domain-containing protein 0.0015 0.0081 0.0238

Activities

Activity type Activity value Assay description Source Reference
IZ (functional) = 15.66 mm Antibacterial activity against Escherichia coli MTCC 443 at 20 ug after 24 hrs by cup diffusion method ChEMBL. 18420309
MIC (functional) = 20 ug ml-1 Antibacterial activity against Escherichia coli MTCC 443 after 24 hrs by cup diffusion method ChEMBL. 18420309

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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