Detailed information for compound 1302129

Basic information

Technical information
  • TDR Targets ID: 1302129
  • Name: 4-(dimethylsulfamoyl)-N-(2-fluorophenyl)benza mide
  • MW: 322.355 | Formula: C15H15FN2O3S
  • H donors: 1 H acceptors: 3 LogP: 2.01 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(cc1)S(=O)(=O)N(C)C)Nc1ccccc1F
  • InChi: 1S/C15H15FN2O3S/c1-18(2)22(20,21)12-9-7-11(8-10-12)15(19)17-14-6-4-3-5-13(14)16/h3-10H,1-2H3,(H,17,19)
  • InChiKey: IUXAWWNHRVCPKP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • Oprea1_594699
  • MLS000531202
  • ZINC01075100
  • SMR000136180
  • 4-[(dimethylamino)sulfonyl]-N-(2-fluorophenyl)benzamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Rattus norvegicus Inositol monophosphatase 1 Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Entamoeba histolytica myo-inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania mexicana myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma congolense inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania braziliensis myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma mansoni inositol monophosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Neospora caninum hypothetical protein Get druggable targets OG5_126810 All targets in OG5_126810
Trichomonas vaginalis myo inositol monophosphatase, putative Get druggable targets OG5_126810 All targets in OG5_126810
Echinococcus granulosus inositol monophosphatase 1 Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania infantum myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Schistosoma japonicum ko:K01092 myo-inositol-1(or 4)-monophosphatase [EC3.1.3.25], putative Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium ulcerans extragenic suppressor protein SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Brugia malayi Inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB Get druggable targets OG5_126810 All targets in OG5_126810
Loa Loa (eye worm) inositol-1 Get druggable targets OG5_126810 All targets in OG5_126810
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). Get druggable targets OG5_126810 All targets in OG5_126810
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Leishmania donovani myo-inositol-1(or 4)-monophosphatase 1, putative Get druggable targets OG5_126810 All targets in OG5_126810
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative Get druggable targets OG5_126810 All targets in OG5_126810
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase Inositol monophosphatase 1   277 aa 230 aa 25.2 %
Brugia malayi Inositol monophosphatase family protein Inositol monophosphatase 1   277 aa 238 aa 21.8 %
Loa Loa (eye worm) hypothetical protein Inositol monophosphatase 1   277 aa 298 aa 23.8 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 300 aa 22.0 %
Schistosoma japonicum ko:K01082 3'(2'), 5'-bisphosphate nucleotidase [EC3.1.3.7], putative Inositol monophosphatase 1   277 aa 275 aa 21.5 %
Trichomonas vaginalis myo inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 276 aa 21.4 %
Onchocerca volvulus Putative trans-2-enoyl-CoA reductase 1, mitochondrial Inositol monophosphatase 1   277 aa 278 aa 23.0 %
Schistosoma mansoni pap-inositol-14-phosphatase Inositol monophosphatase 1   277 aa 279 aa 22.9 %
Trypanosoma brucei inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 27.3 %
Trypanosoma congolense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 304 aa 28.9 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 287 aa 22.3 %
Trypanosoma brucei gambiense inositol-1(or 4)-monophosphatase, putative Inositol monophosphatase 1   277 aa 309 aa 27.8 %
Onchocerca volvulus Putative 28S ribosomal protein S10, mitochondrial Inositol monophosphatase 1   277 aa 271 aa 46.1 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 258 aa 21.7 %
Trichomonas vaginalis diphosphonucleoside phosphohydrolase, putative Inositol monophosphatase 1   277 aa 263 aa 21.7 %
Entamoeba histolytica 3(2),5-bisphosphate nucleotidase, putative Inositol monophosphatase 1   277 aa 263 aa 24.0 %
Trichomonas vaginalis inositol monophosphatase, putative Inositol monophosphatase 1   277 aa 268 aa 22.4 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 307 aa 22.5 %
Trypanosoma cruzi inositol polyphosphate 1-phosphatase, putative Inositol monophosphatase 1   277 aa 291 aa 23.7 %
Candida albicans one of two closely related genes similar to S. cerevisiae MET22/HAL2 (YOL064C) bisphosphate-3'-nucleotidase, implicated in salt Inositol monophosphatase 1   277 aa 306 aa 22.5 %
Trypanosoma cruzi myo-inositol-1 phosphatase, putative Inositol monophosphatase 1   277 aa 284 aa 30.6 %
Dictyostelium discoideum 3',5'-bisphosphate nucleotidase 1 Inositol monophosphatase 1   277 aa 275 aa 22.2 %
Onchocerca volvulus Inositol monophosphatase 1   277 aa 238 aa 22.7 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis tar DNA binding protein 0.0452 0.4524 0.449
Schistosoma mansoni tar DNA-binding protein 0.0452 0.4524 1
Echinococcus multilocularis inositol monophosphatase 1 0.0045 0.0293 0.0232
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1273 0.1219
Schistosoma mansoni Smad4 0.005 0.035 0.0645
Loa Loa (eye worm) hypothetical protein 0.0028 0.0117 0.0075
Loa Loa (eye worm) glutaminase 2 0.0265 0.2585 0.3408
Brugia malayi TAR-binding protein 0.0452 0.4524 0.6061
Loa Loa (eye worm) MH2 domain-containing protein 0.0735 0.7465 1
Loa Loa (eye worm) Smad1 0.005 0.035 0.0389
Echinococcus granulosus mothers against decapentaplegic 5 0.005 0.035 0.0645
Echinococcus multilocularis mothers against decapentaplegic 5 0.005 0.035 0.0289
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0097 0.084 0.1742
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0048 0.0326 1
Brugia malayi isocitrate dehydrogenase 0.0048 0.0326 0.0437
Loa Loa (eye worm) MH2 domain-containing protein 0.005 0.035 0.0389
Schistosoma mansoni hypothetical protein 0.0097 0.084 0.1742
Brugia malayi hypothetical protein 0.0147 0.1353 0.1812
Loa Loa (eye worm) glutaminase 0.0265 0.2585 0.3408
Schistosoma mansoni TGF-beta signal transducer Smad2 0.005 0.035 0.0645
Trichomonas vaginalis glutaminase, putative 0.0265 0.2585 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0293 0.0517
Schistosoma mansoni tar DNA-binding protein 0.0452 0.4524 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1273 0.2714
Brugia malayi MH2 domain containing protein 0.0022 0.0062 0.0083
Schistosoma mansoni hypothetical protein 0.0166 0.1554 0.3343
Loa Loa (eye worm) RNA binding protein 0.0452 0.4524 0.6028
Loa Loa (eye worm) hypothetical protein 0.0307 0.3022 0.3998
Echinococcus multilocularis geminin 0.0166 0.1554 0.1501
Loa Loa (eye worm) nuclear factor I 0.0028 0.0117 0.0075
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0045 0.0293 0.5
Loa Loa (eye worm) hypothetical protein 0.021 0.2012 0.2634
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0139 0.1273 0.1219
Echinococcus multilocularis TGF beta signal transducer SmadC 0.005 0.035 0.0289
Schistosoma mansoni smad1 5 8 and 0.005 0.035 0.0645
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0097 0.084 0.1125
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0097 0.084 0.0782
Brugia malayi Latrophilin receptor protein 2 0.0097 0.084 0.1125
Schistosoma mansoni tar DNA-binding protein 0.0452 0.4524 1
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0326 1
Brugia malayi MH1 domain containing protein 0.005 0.035 0.0469
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0326 1
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0045 0.0293 0.8568
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0048 0.0326 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0139 0.1273 0.1706
Schistosoma mansoni smad1 5 8 and 0.005 0.035 0.0645
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0188 0.1781 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0326 0.0266
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0307 0.3022 0.3998
Schistosoma mansoni tar DNA-binding protein 0.0452 0.4524 1
Schistosoma mansoni hypothetical protein 0.021 0.2012 0.4369
Brugia malayi RNA recognition motif domain containing protein 0.0452 0.4524 0.6061
Echinococcus granulosus Smad4 0.005 0.035 0.0645
Schistosoma mansoni glutaminase 0.0265 0.2585 0.5654
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0293 0.8568
Brugia malayi glutaminase DH11.1 0.0265 0.2585 0.3463
Echinococcus multilocularis GPCR, family 2 0.0097 0.084 0.0782
Mycobacterium ulcerans glutaminase 0.0265 0.2585 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0097 0.084 0.0782
Schistosoma mansoni hypothetical protein 0.0097 0.084 0.1742
Brugia malayi Smad1 0.005 0.035 0.0469
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0048 0.0326 0.0266
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0452 0.4524 0.6028
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0326 0.0266
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0097 0.084 0.1742
Brugia malayi MH2 domain containing protein 0.0735 0.7465 1
Schistosoma mansoni hypothetical protein 0.0097 0.084 0.1742
Schistosoma mansoni tar DNA-binding protein 0.0452 0.4524 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0045 0.0293 0.5
Echinococcus granulosus geminin 0.0166 0.1554 0.3343
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0048 0.0326 0.0592
Brugia malayi MH2 domain containing protein 0.005 0.035 0.0469
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.004 0.0244 0.5
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0293 0.8568
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1273 0.2714
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0139 0.1273 0.1636
Brugia malayi mothers against decapentaplegic homolog 3 0.0022 0.0062 0.0083
Loa Loa (eye worm) hypothetical protein 0.0147 0.1353 0.1744
Echinococcus granulosus GPCR family 2 0.0097 0.084 0.1742
Loa Loa (eye worm) latrophilin receptor protein 2 0.0097 0.084 0.105
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0307 0.3022 0.4048
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0048 0.0326 0.0266
Brugia malayi Isocitrate dehydrogenase 0.0048 0.0326 0.0437
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0293 0.8568
Loa Loa (eye worm) transcription factor SMAD2 0.0735 0.7465 1
Brugia malayi hypothetical protein 0.0025 0.0093 0.0125
Brugia malayi Calcitonin receptor-like protein seb-1 0.0307 0.3022 0.4048
Echinococcus multilocularis isocitrate dehydrogenase 0.0048 0.0326 0.0266
Schistosoma mansoni smad 0.005 0.035 0.0645
Onchocerca volvulus 0.0147 0.1353 0.7509
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0048 0.0326 0.0592
Brugia malayi N-terminal motif family protein 0.0188 0.1781 0.2386
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0045 0.0293 0.8568
Brugia malayi MH1 domain containing protein 0.0028 0.0117 0.0157
Brugia malayi MH1 domain containing protein 0.0028 0.0117 0.0157
Loa Loa (eye worm) isocitrate dehydrogenase 0.0048 0.0326 0.0357
Echinococcus multilocularis Smad4 0.005 0.035 0.0289
Brugia malayi Inositol-1 0.0045 0.0293 0.0392
Loa Loa (eye worm) hypothetical protein 0.0097 0.084 0.105
Loa Loa (eye worm) inositol-1 0.0045 0.0293 0.0312
Loa Loa (eye worm) hypothetical protein 0.0188 0.1781 0.2322
Loa Loa (eye worm) hypothetical protein 0.0025 0.0093 0.0042
Loa Loa (eye worm) TAR-binding protein 0.0452 0.4524 0.6028
Echinococcus granulosus inositol monophosphatase 1 0.0045 0.0293 0.0517
Toxoplasma gondii isocitrate dehydrogenase 0.0048 0.0326 1
Brugia malayi MH1 domain containing protein 0.005 0.035 0.0469
Schistosoma mansoni hypothetical protein 0.0097 0.084 0.1742
Echinococcus granulosus smad 0.005 0.035 0.0645
Brugia malayi MH2 domain containing protein 0.005 0.035 0.0469
Brugia malayi latrophilin 2 splice variant baaae 0.021 0.2012 0.2695
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1273 0.2714
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0048 0.0326 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0326 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0048 0.0326 1
Loa Loa (eye worm) MH1 domain-containing protein 0.005 0.035 0.0389
Echinococcus multilocularis smad 0.005 0.035 0.0289
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0139 0.1273 0.2714
Echinococcus granulosus TGF beta signal transducer SmadC 0.005 0.035 0.0645
Schistosoma mansoni smad1 5 8 and 0.005 0.035 0.0645
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0048 0.0326 1
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0048 0.0326 1
Schistosoma mansoni hypothetical protein 0.0166 0.1554 0.3343
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0139 0.1273 0.2714
Brugia malayi RNA binding protein 0.0452 0.4524 0.6061
Echinococcus granulosus tar DNA binding protein 0.0452 0.4524 1
Schistosoma mansoni inositol monophosphatase 0.0045 0.0293 0.0517

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.3548 um PUBCHEM_BIOASSAY: qHTS Assay for Identifying the Cell-Membrane Permeable IMPase Inhibitors: Potentiation with Lithium. (Class of assay: confirmatory) [Related pubchem assays: 901 ] ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 14.581 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 25.9185 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

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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