Detailed information for compound 911716

Basic information

Technical information
  • TDR Targets ID: 911716
  • Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]p henyl]-2-nitrobenzamide
  • MW: 427.434 | Formula: C19H17N5O5S
  • H donors: 2 H acceptors: 7 LogP: 2.52 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cc(C)nc(n1)NS(=O)(=O)c1ccc(cc1)NC(=O)c1ccccc1[N+](=O)[O-]
  • InChi: 1S/C19H17N5O5S/c1-12-11-13(2)21-19(20-12)23-30(28,29)15-9-7-14(8-10-15)22-18(25)16-5-3-4-6-17(16)24(26)27/h3-11H,1-2H3,(H,22,25)(H,20,21,23)
  • InChiKey: AGHRYYKCIBSXOG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-2-nitro-benzamide
  • N-[4-[(4,6-dimethyl-2-pyrimidinyl)sulfamoyl]phenyl]-2-nitrobenzamide
  • EU-0003914
  • ARONIS018975
  • ChemDiv1_002147
  • BAS 00803236
  • N-[4-(4,6-Dimethyl-pyrimidin-2-ylsulfamoyl)-phenyl]-2-nitro-benzamide
  • ZINC02074718
  • STK054780
  • AH-034/07357035

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi endonuclease G, putative 0.0327 0.1705 1
Brugia malayi acetyltransferase, GNAT family protein 0.0153 0.0667 0.0839
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0632 0.352 1
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.012 0.0581
Schistosoma mansoni endonuclease related 0.0327 0.1705 0.2398
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0086 0.0265 0.0235
Schistosoma mansoni hypothetical protein 0.0086 0.0265 0.0235
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0545 0.3002 0.4346
Leishmania major ethanolamine phosphotransferase, putative 0.0086 0.0265 0.0912
Onchocerca volvulus 0.0545 0.3002 0.4211
Loa Loa (eye worm) hypothetical protein 0.0161 0.0711 0.0905
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.007 0.0171 0.0424
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.012 0.0017
Echinococcus granulosus gpi ethanolamine phosphate transferase 3 0.0086 0.0265 0.0445
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.0379 0.0406
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0153 0.0667 0.0839
Loa Loa (eye worm) hypothetical protein 0.0545 0.3002 0.4346
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.0379 0.0406
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0086 0.0265 0.0445
Echinococcus multilocularis Alkaline phosphatase, core domain 0.0086 0.0265 0.0158
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0086 0.0265 0.0158
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0632 0.352 1
Echinococcus granulosus neuropeptide s receptor 0.0959 0.5471 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.0265 0.0235
Toxoplasma gondii DNA/RNA non-specific endonuclease 0.0327 0.1705 1
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0105 0.0379 0.0273
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.2925
Schistosoma mansoni hypothetical protein 0.0086 0.0265 0.0235
Echinococcus granulosus lysine specific demethylase 5A 0.0059 0.0109 0.0158
Echinococcus granulosus Endonuclease G 0.0327 0.1705 0.3088
Trypanosoma cruzi endonuclease G, putative 0.0327 0.1705 1
Loa Loa (eye worm) acetyltransferase 0.0153 0.0667 0.0839
Loa Loa (eye worm) hypothetical protein 0.0086 0.0265 0.0235
Plasmodium falciparum GPI ethanolamine phosphate transferase 3, putative 0.0086 0.0265 1
Brugia malayi Melibiase family protein 0.007 0.0171 0.0093
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0632 0.352 1
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.2925
Echinococcus multilocularis gpi ethanolamine phosphate transferase 3 0.0086 0.0265 0.0158
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0178 0.0445
Echinococcus granulosus transferase 0.0086 0.0265 0.0445
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.0171 0.0093
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0632 0.352 1
Plasmodium falciparum basic transcription factor 3b, putative 0.0071 0.0178 0.6725
Schistosoma mansoni hypothetical protein 0.0086 0.0265 0.0235
Loa Loa (eye worm) hypothetical protein 0.0545 0.3002 0.4346
Toxoplasma gondii NAC domain-containing protein 0.0071 0.0178 0.0925
Echinococcus multilocularis transferase 0.0086 0.0265 0.0158
Trypanosoma brucei endonuclease G, putative 0.0327 0.1705 1
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.0379 0.0406
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.5468
Schistosoma mansoni hypothetical protein 0.0086 0.0265 0.0235
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0153 0.0667 0.0565
Brugia malayi endonuclease G, mitochondrial precursor 0.0327 0.1705 0.2398
Giardia lamblia Phosphatidylinositol-glycan biosynthesis, class O protein 0.0086 0.0265 0.0752
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.2925
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.5468
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0632 0.352 1
Trypanosoma brucei GPI ethanolamine phosphate transferase 3, putative 0.0086 0.0265 0.0568
Loa Loa (eye worm) hypothetical protein 0.0086 0.0265 0.0235
Entamoeba histolytica transcription factor BTF3, putative 0.0071 0.0178 0.0506
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0105 0.0379 0.0273
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0086 0.0265 0.0158
Treponema pallidum fructose-bisphosphate aldolase 0.0632 0.352 0.5
Loa Loa (eye worm) hypothetical protein 0.0086 0.0265 0.0235
Leishmania major DNA/RNA non-specific endonuclease-like protein 0.0327 0.1705 1
Schistosoma mansoni hypothetical protein 0.1176 0.6766 1
Echinococcus granulosus neuropeptide receptor A26 0.0959 0.5471 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0309 0.1594 1
Brugia malayi Thrombospondin type 1 domain containing protein 0.1176 0.6766 1
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0178 0.0445
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.012 0.0012
Trichomonas vaginalis conserved hypothetical protein 0.0071 0.0178 0.0445
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0086 0.0265 0.0752
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0632 0.352 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0632 0.352 1
Echinococcus multilocularis neuropeptide receptor A26 0.0959 0.5471 0.5422
Onchocerca volvulus 0.0545 0.3002 0.4211
Echinococcus granulosus ectonucleotide 0.0459 0.2491 0.4531
Brugia malayi AEL166Cp 0.0086 0.0265 0.0235
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0309 0.1594 1
Entamoeba histolytica phosphatidylinositol-glycan biosynthesis class O protein, putative 0.0086 0.0265 0.0752
Leishmania major endonuclease G, putative 0.0327 0.1705 1
Brugia malayi hypothetical protein 0.0086 0.0265 0.0235
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.2925
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.2925
Loa Loa (eye worm) hypothetical protein 0.0545 0.3002 0.4346
Brugia malayi hypothetical protein 0.0086 0.0265 0.0235
Loa Loa (eye worm) thrombospondin type 1 domain-containing protein 0.1176 0.6766 1
Loa Loa (eye worm) hypothetical protein 0.0459 0.2491 0.3579
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0632 0.352 1
Loa Loa (eye worm) type I phosphodiesterase/nucleotide pyrophosphatase 0.0086 0.0265 0.0235
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.007 0.0171 0.0093
Echinococcus multilocularis Endonuclease G 0.0327 0.1705 0.1614
Toxoplasma gondii melibiase subfamily protein 0.0105 0.0379 0.2119
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.012 0.0017
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0632 0.352 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.5468
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0632 0.352 1
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0327 0.1705 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.5468
Echinococcus multilocularis gpi ethanolamine phosphate transferase 1 0.0086 0.0265 0.0158
Entamoeba histolytica hypothetical protein 0.0071 0.0178 0.0506
Leishmania major basic transcription factor 3a, putative 0.0071 0.0178 0.0366
Plasmodium vivax basic transcription factor 3b, putative 0.0071 0.0178 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.012 0.0179
Echinococcus multilocularis neuropeptide s receptor 0.0959 0.5471 0.5422
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0059 0.0109 0.0158
Echinococcus multilocularis transcription factor btf3 0.0071 0.0178 0.007
Echinococcus granulosus geminin 0.0195 0.0915 0.1639
Schistosoma mansoni hypothetical protein 0.0195 0.0915 0.1212
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0309 0.1594 1
Trypanosoma brucei endonuclease G, putative 0.0327 0.1705 1
Schistosoma mansoni hypothetical protein 0.0195 0.0915 0.1212
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0545 0.3002 0.4346
Trypanosoma brucei endonuclease G, putative 0.0327 0.1705 1
Brugia malayi hypothetical protein 0.0161 0.0711 0.0905
Giardia lamblia Fructose-bisphosphate aldolase 0.0632 0.352 1
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0459 0.2491 0.4531
Trypanosoma cruzi DNA/RNA non-specific endonuclease protein-like, putative 0.0327 0.1705 1
Onchocerca volvulus 0.1176 0.6766 1
Echinococcus multilocularis geminin 0.0195 0.0915 0.0816
Brugia malayi Type I phosphodiesterase / nucleotide pyrophosphatase family protein 0.0545 0.3002 0.4346
Echinococcus granulosus ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.5468
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0545 0.3002 0.4346
Echinococcus multilocularis ectonucleotide 0.0459 0.2491 0.2409
Echinococcus granulosus transcription factor btf3 0.0071 0.0178 0.0286
Brugia malayi beta-NAC-like protein 0.0071 0.0178 0.0104
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0545 0.3002 0.4346
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0105 0.0379 0.0406
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0459 0.2491 0.2409
Mycobacterium ulcerans hypothetical protein 0.0086 0.0265 0.0981
Echinococcus granulosus histone acetyltransferase KAT2B 0.0149 0.0641 0.1136
Onchocerca volvulus 0.0161 0.0711 0.0687
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0105 0.0379 0.0654
Loa Loa (eye worm) ICD-1 protein 0.0071 0.0178 0.0104
Loa Loa (eye worm) hypothetical protein 0.007 0.0171 0.0093
Schistosoma mansoni ectonucleotide pyrophosphatase/phosphodiesterase 0.0086 0.0265 0.0235
Schistosoma mansoni transcription factor btf3 0.0071 0.0178 0.0104
Echinococcus multilocularis ectonucleotide pyrophosphatase:phosphodiesterase 0.0545 0.3002 0.2925

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 10.4179 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) 50.1187 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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.