Detailed information for compound 1001648

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 213.209 | Formula: C9H12FN3O2
  • H donors: 3 H acceptors: 2 LogP: -1.92 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1(F)C/C/1=C\N1C=CC(NC1=O)N
  • InChi: 1S/C9H12FN3O2/c10-9(5-14)3-6(9)4-13-2-1-7(11)12-8(13)15/h1-2,4,7,14H,3,5,11H2,(H,12,15)/b6-4+
  • InChiKey: QHWGCYGCPDIKQZ-GQCTYLIASA-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
Leishmania major DNA polymerase eta, putative 0.0096 0.5714 1
Brugia malayi Bromodomain containing protein 0.0044 0.2373 0.2198
Loa Loa (eye worm) hypothetical protein 0.0011 0.0223 0.0105
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0223 0.0227
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.366 1
Schistosoma mansoni cpg binding protein 0.0034 0.1712 0.1738
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.3091 0.5116
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0064 0.366 0.366
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0055 0.3091 0.5116
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3091 1
Brugia malayi Bromodomain containing protein 0.0084 0.4985 0.487
Schistosoma mansoni bromodomain containing protein 0.001 0.0166 0.0169
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.2186 0.5557
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0049 0.2667 0.5317
Echinococcus multilocularis dna polymerase kappa 0.0041 0.2186 0.2186
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0223 0.0227
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.1283 0.175
Brugia malayi PHD-finger family protein 0.0032 0.1572 0.1379
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0676 0.0676
Brugia malayi CXXC zinc finger family protein 0.003 0.1471 0.1276
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0119 0.0119
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0719 0.0719
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0223 0.0223
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3091 1
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0223 0.0227
Loa Loa (eye worm) hypothetical protein 0.001 0.0166 0.0047
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.1283 0.4913
Schistosoma mansoni serine/threonine protein kinase 0.0055 0.3091 0.3138
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0223 0.0223
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3091 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0223 0.0227
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0223 0.0105
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0041 0.2186 0.2186
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0041 0.2186 0.2186
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0308 0.0308
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0223 0.0223
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0719 0.0729
Echinococcus multilocularis mitogen activated protein kinase 3 0.0055 0.3091 0.3091
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0223 0.0223
Brugia malayi acetyltransferase, GNAT family protein 0.016 0.985 0.9846
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.2186 0.222
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.366 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0223 0.0105
Leishmania major DNA polymerase eta, putative 0.0067 0.3871 0.6568
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.1357 0.1887
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0223 0.0105
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0719 0.0729
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0049 0.2667 0.6588
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0223 0.0105
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.1357 0.1887
Echinococcus multilocularis muscleblind protein 0.0162 1 1
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0038 0.1962 0.1962
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.2257 1
Schistosoma mansoni hypothetical protein 0.0022 0.092 0.0934
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0242 0.0019
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.1283 0.4045
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0223 0.0223
Brugia malayi MAP kinase sur-1 0.0055 0.3091 0.2933
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.016 0.985 0.985
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0223 0.0105
Loa Loa (eye worm) hypothetical protein 0.0011 0.0223 0.0105
Loa Loa (eye worm) hypothetical protein 0.0011 0.0223 0.0105
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0223 0.0227
Loa Loa (eye worm) hypothetical protein 0.0074 0.4332 0.4264
Trypanosoma cruzi ISWI complex protein 0.0016 0.0556 0.0396
Echinococcus granulosus histone acetyltransferase KAT2B 0.0153 0.9403 0.9403
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0223 0.0223
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.3942 0.3942
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0223 0.0105
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.2186 0.222
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0676 0.0686
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0676 0.0686
Loa Loa (eye worm) hypothetical protein 0.0011 0.0223 0.0105
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0049 0.2667 0.6588
Schistosoma mansoni zinc finger protein 0.0026 0.1208 0.1227
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0223 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0041 0.2186 0.3432
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0676 0.0676
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0223 0.0105
Loa Loa (eye worm) hypothetical protein 0.0011 0.0223 0.0105
Trypanosoma cruzi DNA polymerase eta, putative 0.0067 0.3871 0.6568
Schistosoma mansoni zinc finger protein 0.0016 0.0556 0.0565
Schistosoma mansoni DNA polymerase IV / kappa 0.0013 0.0343 0.0349
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0223 0.0227
Mycobacterium ulcerans DNA polymerase IV 0.0041 0.2186 0.5557
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0055 0.3091 0.7789
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0223 0.0223
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.092 0.081
Leishmania major DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0223 0.0227
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0064 0.366 1
Brugia malayi polk-prov protein 0.0013 0.0343 0.0123
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0067 0.3871 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Trypanosoma brucei DNA polymerase eta, putative 0.0096 0.5714 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0119 0.0119
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0013 0.0343 0.0227
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0223 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.1161 0.1161
Trypanosoma cruzi DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0064 0.366 0.6176
Trypanosoma cruzi ISWI complex protein 0.0016 0.0556 0.0396
Brugia malayi hypothetical protein 0.0018 0.0656 0.0443
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.0967 0.0858
Schistosoma mansoni coup transcription factor 0.0011 0.0223 0.0227
Trypanosoma brucei DNA polymerase kappa, putative 0.0028 0.1357 0.1887
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.2186 0.3432
Schistosoma mansoni cpg binding protein 0.0034 0.1712 0.1738
Echinococcus multilocularis muscleblind protein 1 0.0162 1 1
Trypanosoma brucei unspecified product 0.0028 0.1357 0.1887
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0223 0.0223
Loa Loa (eye worm) hypothetical protein 0.0011 0.0223 0.0105
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.1161 0.1179
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.1283 0.175
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0055 0.3091 0.5116
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0223 0.0223
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0055 0.3091 0.5116
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.3942 0.3942
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0055 0.3091 0.5116
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0041 0.2186 0.2092
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0719 0.0719
Brugia malayi ImpB/MucB/SamB family protein 0.0096 0.5714 0.5616
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.366 0.3716
Echinococcus multilocularis dna polymerase eta 0.0096 0.5714 0.5714
Trypanosoma brucei ISWI complex protein 0.0016 0.0556 0.0396
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0223 0.0105
Schistosoma mansoni bromodomain containing protein 0.0072 0.4186 0.425
Loa Loa (eye worm) hypothetical protein 0.005 0.278 0.2693
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.016 0.985 1
Toxoplasma gondii aldehyde dehydrogenase 0.0064 0.366 0.9402
Loa Loa (eye worm) hypothetical protein 0.0162 1 1
Echinococcus multilocularis cpg binding protein 0.0034 0.1712 0.1712
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.1471 0.1368
Onchocerca volvulus 0.003 0.1471 1
Echinococcus multilocularis zinc finger protein 0.0026 0.1208 0.1208
Trypanosoma cruzi DNA polymerase eta, putative 0.0096 0.5714 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.3664 0.372
Echinococcus granulosus dna polymerase eta 0.0096 0.5714 0.5714
Schistosoma mansoni DNA polymerase eta 0.0096 0.5714 0.5801
Echinococcus granulosus mitogen activated protein kinase 0.0055 0.3091 0.3091
Echinococcus granulosus cpg binding protein 0.0034 0.1712 0.1712
Loa Loa (eye worm) hypothetical protein 0.0027 0.1283 0.1178
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.2257 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.1283 0.4913
Leishmania major hypothetical protein, conserved 0.0027 0.1283 0.175
Loa Loa (eye worm) hypothetical protein 0.0019 0.0719 0.0606
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0223 0.0223
Schistosoma mansoni cpg binding protein 0.003 0.1471 0.1493
Echinococcus granulosus dna polymerase kappa 0.0041 0.2186 0.2186
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0064 0.366 0.366
Trypanosoma brucei unspecified product 0.0041 0.2186 0.3432
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.1283 0.2665
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0055 0.3091 0.5116
Toxoplasma gondii histone lysine methyltransferase SET1 0.0064 0.3631 0.9321
Giardia lamblia DINP protein human, muc B family 0.0041 0.2186 0.6708
Loa Loa (eye worm) hypothetical protein 0.0162 1 1
Echinococcus granulosus zinc finger protein 0.0026 0.1208 0.1208
Schistosoma mansoni hypothetical protein 0.0012 0.0308 0.0312
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0055 0.3091 0.5116
Echinococcus granulosus muscleblind protein 0.0162 1 1
Giardia lamblia Kinase, CMGC MAPK 0.0055 0.3091 1
Echinococcus granulosus mitogen activated protein kinase 3 0.0055 0.3091 0.3091
Echinococcus granulosus histone acetyltransferase KAT2B 0.0049 0.2667 0.2667
Loa Loa (eye worm) hypothetical protein 0.0011 0.0223 0.0105
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0223 0.0227
Schistosoma mansoni hypothetical protein 0.0016 0.0556 0.0565
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0223 0.0223
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0223 0.0105
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.2186 0.2008
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0223 0.0223
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.2186 0.3432
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0223 0.0223
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0223 0.0227
Trichomonas vaginalis bromodomain-containing protein, putative 0.0049 0.2667 0.5317
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Trypanosoma brucei DNA polymerase IV, putative 0.0041 0.2186 0.3432
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0223 0.0223
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.1283 0.175
Mycobacterium ulcerans aldehyde dehydrogenase 0.0064 0.366 1
Trypanosoma brucei protein kinase, putative 0.0055 0.3091 0.5116
Loa Loa (eye worm) acetyltransferase 0.016 0.985 0.9848
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0038 0.1962 0.1962
Trichomonas vaginalis CMGC family protein kinase 0.0055 0.3091 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0223 0.0223
Leishmania major hypothetical protein, conserved 0.0016 0.0556 0.0396
Giardia lamblia Histone acetyltransferase GCN5 0.0042 0.2257 0.6964
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.1161 0.1161
Loa Loa (eye worm) hypothetical protein 0.004 0.2128 0.2033
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0308 0.0308
Echinococcus multilocularis mitogen activated protein kinase 0.0055 0.3091 0.3091
Loa Loa (eye worm) hypothetical protein 0.0096 0.5714 0.5662
Brugia malayi hypothetical protein 0.0027 0.1283 0.1084
Loa Loa (eye worm) hypothetical protein 0.0047 0.2539 0.2449
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0223 0.0223
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0049 0.2667 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Schistosoma mansoni aldehyde dehydrogenase 0.0064 0.366 0.3716
Trypanosoma brucei unspecified product 0.0028 0.1357 0.1887
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0055 0.3091 0.3007
Trypanosoma brucei DNA polymerase kappa, putative 0.0041 0.2186 0.3432
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0223 0.0223
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0223 0.0227

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.

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