Detailed information for compound 790171

Basic information

Technical information
  • TDR Targets ID: 790171
  • Name: N-(3-chloro-4-fluorophenyl)-4-(4-chloro-5-met hyl-3-nitropyrazol-1-yl)butanamide
  • MW: 375.182 | Formula: C14H13Cl2FN4O3
  • H donors: 1 H acceptors: 4 LogP: 3.25 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(c(c1)Cl)F)CCCn1nc(c(c1C)Cl)[N+](=O)[O-]
  • InChi: 1S/C14H13Cl2FN4O3/c1-8-13(16)14(21(23)24)19-20(8)6-2-3-12(22)18-9-4-5-11(17)10(15)7-9/h4-5,7H,2-3,6H2,1H3,(H,18,22)
  • InChiKey: SOZGHYVZONRXIX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(3-chloro-4-fluoro-phenyl)-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butanamide
  • N-(3-chloro-4-fluorophenyl)-4-(4-chloro-5-methyl-3-nitro-1-pyrazolyl)butanamide
  • N-(3-chloro-4-fluoro-phenyl)-4-(4-chloro-5-methyl-3-nitro-pyrazol-1-yl)butyramide
  • ZINC04657250
  • AN-329/43210895

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
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0651 0.1075
Loa Loa (eye worm) CHromoDomain protein family member 0.0012 0.0109 0.0109
Trichomonas vaginalis conserved hypothetical protein 0.0167 0.5151 1
Trichomonas vaginalis rotamase, putative 0.0034 0.0817 0.1404
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0034 0.0817 0.1404
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0109 0.0109
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0437 0.065
Brugia malayi Protein cec-1. 0.0012 0.0109 0.0212
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Echinococcus granulosus dna polymerase eta 0.002 0.0373 0.0373
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0373 0.1085
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0012 0.0109 0.0109
Plasmodium falciparum macrophage migration inhibitory factor 0.0167 0.5151 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0167 0.5151 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0097 0.2881 0.5497
Brugia malayi hypothetical protein 0.0012 0.0109 0.0212
Loa Loa (eye worm) hypothetical protein 0.0012 0.0109 0.0109
Brugia malayi MH2 domain containing protein 0.0123 0.3712 0.7207
Entamoeba histolytica hypothetical protein 0.0024 0.0509 0.0793
Brugia malayi Importin beta-1 subunit 0.003 0.0691 0.1341
Trypanosoma brucei polo-like protein kinase 0.0097 0.2881 1
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0097 0.2881 0.2881
Brugia malayi Heterochromatin protein 1 0.0072 0.2053 0.3986
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0097 0.2881 0.2881
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2881 0.5497
Loa Loa (eye worm) hypothetical protein 0.0012 0.0109 0.0109
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.2881 1
Schistosoma mansoni chromobox protein 0.0012 0.0109 0.0109
Loa Loa (eye worm) helicase 0.0012 0.0109 0.0109
Schistosoma mansoni DNA polymerase eta 0.002 0.0373 0.0373
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0373 0.1085
Echinococcus multilocularis dna polymerase eta 0.002 0.0373 0.0373
Trichomonas vaginalis chromobox protein, putative 0.0072 0.2053 0.3856
Trypanosoma brucei unspecified product 0.0014 0.0173 0.0374
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0691 0.2216
Brugia malayi serine/threonine-protein kinase plk-2 0.0097 0.2881 0.5592
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0373 0.5
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0167 0.5151 1
Brugia malayi M-phase phosphoprotein, mpp8 0.0012 0.0109 0.0212
Toxoplasma gondii peptidylprolyl isomerase 0.0034 0.0817 0.1474
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0437 0.0437
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0012 0.0109 0.0109
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0012 0.0109 0.0082
Entamoeba histolytica Ran family GTPase 0.0022 0.0437 0.065
Schistosoma mansoni ran 0.0022 0.0437 0.0437
Echinococcus multilocularis expressed protein 0.0034 0.0843 0.0843
Loa Loa (eye worm) transcription factor SMAD2 0.0123 0.3712 0.3712
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0167 0.5151 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Loa Loa (eye worm) heterochromatin protein 1 0.0072 0.2053 0.2053
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.0109 0.0212
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Leishmania major importin beta-1 subunit, putative 0.0024 0.0509 0.0868
Trichomonas vaginalis rotamase, putative 0.0034 0.0843 0.1456
Brugia malayi chromobox protein homolog 3 0.004 0.1032 0.2003
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0173 0.0374
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0373 0.1085
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0373 0.0373
Echinococcus multilocularis snurportin 1 0.0316 1 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0437 0.0848
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Echinococcus multilocularis Chromobox protein 3 0.0012 0.0109 0.0109
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0167 0.5151 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.1032 0.1979
Loa Loa (eye worm) hypothetical protein 0.0012 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0031 0.075 0.075
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0437 0.0726
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Brugia malayi CHD4 protein 0.0012 0.0109 0.0212
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0373 0.1085
Echinococcus granulosus importin subunit beta 1 0.003 0.0691 0.0691
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2881 0.5497
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0373 0.5
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0373 0.1085
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0437 0.1313
Echinococcus granulosus expressed protein 0.0034 0.0843 0.0843
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0012 0.0109 0.0109
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1131 0.2026
Schistosoma mansoni importin beta-1 0.003 0.0691 0.0691
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0012 0.0109 0.0212
Brugia malayi Valyl-tRNA synthetase 0.0012 0.0109 0.0212
Plasmodium vivax importin-beta 2, putative 0.003 0.0691 0.1154
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0012 0.0109 0.0109
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0109 0.0109
Echinococcus multilocularis chromobox protein 1 0.0072 0.2053 0.2053
Leishmania major macrophage migration inhibitory factor-like protein 0.0167 0.5151 1
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2881 0.5497
Echinococcus multilocularis chromobox protein 1 0.0072 0.2053 0.2053
Loa Loa (eye worm) hypothetical protein 0.0012 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.0012 0.0109 0.0109
Trichomonas vaginalis ran, putative 0.0022 0.0437 0.065
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0373 0.0373
Trichomonas vaginalis chromobox protein, putative 0.0043 0.1131 0.2026
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0373 0.0373
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0167 0.5151 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0373 0.0523
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0373 0.0723
Loa Loa (eye worm) hypothetical protein 0.0012 0.0109 0.0109
Brugia malayi hypothetical protein 0.0155 0.4771 0.9262
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0173 0.0374
Schistosoma mansoni serine/threonine protein kinase 0.0097 0.2881 0.2881
Echinococcus granulosus chromobox protein 1 0.0072 0.2053 0.2053
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Loa Loa (eye worm) hypothetical protein 0.0012 0.0109 0.0109
Schistosoma mansoni ran 0.0022 0.0437 0.0437
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.0817 0.2664
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase 0.0034 0.0817 0.2664
Trypanosoma brucei unspecified product 0.0014 0.0173 0.0374
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0012 0.0109 0.0082
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0167 0.5151 0.5151
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0373 0.0373
Echinococcus multilocularis chromobox protein 2 0.0012 0.0109 0.0109
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0373 0.0373
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0437 0.1313
Schistosoma mansoni chromobox protein 0.0072 0.2053 0.2053
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0097 0.2881 0.2881
Brugia malayi SET domain containing protein 0.0012 0.0109 0.0212
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0691 0.2216
Trichomonas vaginalis conserved hypothetical protein 0.004 0.1032 0.183
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0651 0.1075
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0373 0.1085
Trypanosoma cruzi polo-like protein kinase, putative 0.0097 0.2881 1
Trichomonas vaginalis chromobox protein, putative 0.0072 0.2053 0.3856
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Wolbachia endosymbiont of Brugia malayi parvulin-like peptidyl-prolyl isomerase, PPID 0.001 0.0067 0.5
Onchocerca volvulus Serine\/threonine kinase homolog 0.0097 0.2881 0.5945
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0373 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0034 0.0843 0.1456
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0509 0.0793
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0034 0.0843 0.0843
Leishmania major GTP-binding protein, putative 0.0022 0.0437 0.0726
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0097 0.2881 0.5534
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0373 0.0723
Echinococcus multilocularis Chromo domain 0.0012 0.0109 0.0109
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0373 0.1085
Trichomonas vaginalis conserved hypothetical protein 0.004 0.1032 0.183
Leishmania major DNA polymerase kappa, putative 0.002 0.0373 0.06
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.1131 0.2192
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase/rotamase, putative 0.0034 0.0817 0.2664
Brugia malayi Bm-MIF-1, identical 0.0167 0.5151 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0373 0.1085
Schistosoma mansoni hypothetical protein 0.0316 1 1
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0012 0.0109 0.0109
Trypanosoma brucei unspecified product 0.002 0.0373 0.1085
Leishmania major DNA polymerase eta, putative 0.002 0.0373 0.06
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0316 1 1
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0034 0.0843 0.1637
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1289 0.234
Loa Loa (eye worm) hypothetical protein 0.004 0.1032 0.1032
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2881 0.5497
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.2042 0.2042
Onchocerca volvulus 0.0155 0.4771 1
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Onchocerca volvulus 0.0031 0.075 0.1375
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0373 0.0523
Leishmania major peptidyl-prolyl cis-trans isomerase/rotamase, putative,PPIase, putative 0.0034 0.0817 0.1474
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2881 0.5497
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0173 0.0374
Schistosoma mansoni rotamase 0.0034 0.0843 0.0843
Giardia lamblia Macrophage migration inhibitory factor 0.0167 0.5151 1
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0691 0.1226
Trichomonas vaginalis CAMK family protein kinase 0.0048 0.1289 0.234
Echinococcus granulosus Chromobox protein 3 0.0012 0.0109 0.0109
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0373 0.1085
Schistosoma mansoni kinase 0.0049 0.133 0.133
Schistosoma mansoni chromobox protein 0.0012 0.0109 0.0109
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0373 0.5
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0071 0.2042 0.2042
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0509 0.0793
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0012 0.0109 0.0109
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0012 0.0109 0.0082
Plasmodium falciparum importin beta, putative 0.003 0.0691 0.1154
Schistosoma mansoni hypothetical protein 0.0012 0.0109 0.0109
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2881 0.5497
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0437 0.065
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0373 0.06
Echinococcus multilocularis importin subunit beta 1 0.003 0.0691 0.0691
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0437 0.0437
Schistosoma mansoni chromobox protein 0.0072 0.2053 0.2053
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0012 0.0109 0.0109
Loa Loa (eye worm) hypothetical protein 0.003 0.0691 0.0691
Loa Loa (eye worm) hypothetical protein 0.0155 0.4771 0.4771
Giardia lamblia Kinase, PLK 0.0097 0.2881 0.5248
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0437 0.0437
Echinococcus granulosus dna polymerase kappa 0.002 0.0373 0.0373
Brugia malayi RNA, U transporter 1 0.0084 0.2465 0.4785
Echinococcus granulosus Chromo domain 0.0012 0.0109 0.0109
Echinococcus granulosus chromobox protein 2 0.0012 0.0109 0.0109
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0373 0.1085
Loa Loa (eye worm) hypothetical protein 0.002 0.0373 0.0373
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0437 0.0134
Echinococcus granulosus chromobox protein 1 0.0072 0.2053 0.2053
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0509 0.0793
Echinococcus multilocularis dna polymerase kappa 0.002 0.0373 0.0373
Trichomonas vaginalis CAMK family protein kinase 0.0097 0.2881 0.5497
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0509 0.1569
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0373 0.0523
Loa Loa (eye worm) MH2 domain-containing protein 0.0123 0.3712 0.3712
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0437 0.1313

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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