Detailed information for compound 1424477

Basic information

Technical information
  • TDR Targets ID: 1424477
  • Name: 2-fluoro-N-[2-oxo-2-[2-(4-sulfamoylphenyl)eth ylamino]ethyl]benzamide
  • MW: 379.406 | Formula: C17H18FN3O4S
  • H donors: 3 H acceptors: 4 LogP: 1.17 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CNC(=O)c1ccccc1F)NCCc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C17H18FN3O4S/c18-15-4-2-1-3-14(15)17(23)21-11-16(22)20-10-9-12-5-7-13(8-6-12)26(19,24)25/h1-8H,9-11H2,(H,20,22)(H,21,23)(H2,19,24,25)
  • InChiKey: NPWWCEFEPZDRSF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-fluoro-N-[2-keto-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
  • ZINC03446437
  • T5302746

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
Loa Loa (eye worm) RNA binding protein 0.0064 0.118 0.2227
Loa Loa (eye worm) MH1 domain-containing protein 0.0017 0.015 0.0283
Schistosoma mansoni tar DNA-binding protein 0.0064 0.118 0.118
Echinococcus multilocularis mothers against decapentaplegic 5 0.0017 0.015 0.015
Entamoeba histolytica G protein alpha subunit, putative 0.0011 0.0006 0.0031
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0104 0.2048 0.5
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0011 0.0006 0.0012
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0011 0.0006 0.0031
Trichomonas vaginalis GTP-binding protein (O) alpha subunit, gnao, putative 0.0011 0.0006 0.0031
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.118 0.2227
Schistosoma mansoni hypothetical protein 0.0016 0.0119 0.0119
Loa Loa (eye worm) transcription factor SMAD2 0.0253 0.53 1
Schistosoma mansoni P2X receptor subunit 0.0468 1 1
Schistosoma mansoni hypothetical protein 0.0016 0.0119 0.0119
Schistosoma mansoni smad1 5 8 and 0.0017 0.015 0.015
Echinococcus granulosus GPCR family 2 0.0016 0.0119 0.0119
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0011 0.0006 0.0006
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-6 subunit 0.0011 0.0006 0.0012
Echinococcus multilocularis GPCR, family 2 0.0016 0.0119 0.0119
Trichomonas vaginalis GTP-binding protein (z) alpha subunit, gnaz, putative 0.0011 0.0006 0.0031
Echinococcus granulosus TGF beta signal transducer SmadC 0.0017 0.015 0.015
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0104 0.2048 0.2048
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0011 0.0006 0.0006
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0011 0.0006 0.0006
Echinococcus granulosus smad 0.0017 0.015 0.015
Schistosoma mansoni smad 0.0017 0.015 0.015
Brugia malayi Guanine nucleotide-binding protein alpha-6 subunit, putative 0.0011 0.0006 0.0012
Echinococcus granulosus expressed protein 0.0011 0.0006 0.0006
Schistosoma mansoni GTP-binding protein alpha subunit 0.0011 0.0006 0.0006
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2048 1
Echinococcus multilocularis smad 0.0017 0.015 0.015
Onchocerca volvulus 0.0011 0.0006 0.0031
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2048 1
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0281 0.5906 1
Echinococcus granulosus guanine nucleotide binding protein subunit 0.0011 0.0006 0.0006
Echinococcus multilocularis tar DNA binding protein 0.0064 0.118 0.118
Schistosoma mansoni trimeric G-protein alpha o subunit 0.0011 0.0006 0.0006
Schistosoma mansoni Smad4 0.0017 0.015 0.015
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0011 0.0006 0.0031
Schistosoma mansoni tar DNA-binding protein 0.0064 0.118 0.118
Schistosoma mansoni kinase 0.0053 0.093 0.093
Loa Loa (eye worm) MH2 domain-containing protein 0.0017 0.015 0.0283
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0119 0.0224
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0281 0.5906 1
Echinococcus multilocularis Smad4 0.0017 0.015 0.015
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0249 0.5202 0.5202
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0281 0.5906 0.5
Loa Loa (eye worm) hypothetical protein 0.0016 0.0119 0.0224
Brugia malayi guanine nucleotide-binding protein G(o), alpha subunit, putative 0.0011 0.0006 0.0012
Schistosoma mansoni hypothetical protein 0.0016 0.0119 0.0119
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0011 0.0006 0.0006
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0104 0.2048 0.3865
Echinococcus granulosus gtp binding protein I alpha 1subunit 0.0011 0.0006 0.0006
Brugia malayi TAR-binding protein 0.0064 0.118 0.2227
Echinococcus granulosus Smad4 0.0017 0.015 0.015
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0011 0.0006 0.0006
Onchocerca volvulus 0.0011 0.0006 0.0031
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0017 0.015 0.015
Loa Loa (eye worm) TAR-binding protein 0.0064 0.118 0.2227
Loa Loa (eye worm) Smad1 0.0017 0.015 0.0283
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0011 0.0006 0.0031
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0249 0.5202 0.5202
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.001 0 0.5
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0011 0.0006 0.0006
Trichomonas vaginalis GTP-binding protein (q) alpha-11 subunit, gna11, putative 0.0011 0.0006 0.0031
Brugia malayi guanine nucleotide-binding protein alpha-3 subunit, putative 0.0011 0.0006 0.0012
Entamoeba histolytica serine/threonine protein kinase, putative 0.0104 0.2048 1
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0011 0.0006 0.0006
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0119 0.0119
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0281 0.5906 1
Echinococcus multilocularis guanine nucleotide binding protein subunit 0.0011 0.0006 0.0006
Brugia malayi GTP-binding regulatory protein alpha chain - starfish, putative 0.0011 0.0006 0.0012
Schistosoma mansoni GTP-binding protein (I) alpha-1subunit gnai1 0.0011 0.0006 0.0006
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0011 0.0006 0.0006
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0119 0.0119
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2048 1
Brugia malayi Guanine nucleotide-binding protein alpha-3 subunit, putative 0.0011 0.0006 0.0012
Treponema pallidum hypothetical protein 0.0281 0.5906 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0012
Schistosoma mansoni smad1 5 8 and 0.0017 0.015 0.015
Brugia malayi guanine nucleotide-binding protein alpha-7 subunit, putative 0.0011 0.0006 0.0012
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0012
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0119 0.0119
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0012
Schistosoma mansoni GTP-binding protein (I) alpha subunit gnai 0.0011 0.0006 0.0006
Schistosoma mansoni tar DNA-binding protein 0.0064 0.118 0.118
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0249 0.5202 0.5202
Brugia malayi MH2 domain containing protein 0.0253 0.53 1
Wolbachia endosymbiont of Brugia malayi NAD-dependent DNA ligase, Lig 0.001 0 0.5
Echinococcus granulosus guanine nucleotide binding protein G protein 0.0011 0.0006 0.0006
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0281 0.5906 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2048 1
Brugia malayi Guanine nucleotide-binding protein alpha-12 subunit, putative 0.0011 0.0006 0.0012
Echinococcus granulosus tar DNA binding protein 0.0064 0.118 0.118
Brugia malayi Smad1 0.0017 0.015 0.0283
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0249 0.5202 0.5202
Brugia malayi MH2 domain containing protein 0.0017 0.015 0.0283
Schistosoma mansoni GTP-binding protein alpha subunit 0.0011 0.0006 0.0006
Brugia malayi MH1 domain containing protein 0.0017 0.015 0.0283
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2048 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0249 0.5202 0.9814
Echinococcus multilocularis p2X purinoceptor 4 0.0468 1 1
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2048 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0012
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.118 0.2227
Brugia malayi MH2 domain containing protein 0.0017 0.015 0.0283
Trypanosoma cruzi polo-like protein kinase, putative 0.0104 0.2048 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.005 0.0864 0.1631
Schistosoma mansoni hypothetical protein 0.0016 0.0119 0.0119
Trypanosoma brucei polo-like protein kinase 0.0104 0.2048 1
Schistosoma mansoni P2X receptor subunit 0.0468 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0104 0.2048 0.3865
Schistosoma mansoni smad1 5 8 and 0.0017 0.015 0.015
Toxoplasma gondii ATPase, AAA family protein 0.001 0 0.5
Loa Loa (eye worm) MH2 domain-containing protein 0.0253 0.53 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0011 0.0006 0.0006
Brugia malayi guanine nucleotide-binding protein G-o protein alpha subunit 0.0011 0.0006 0.0012
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0119 0.0224
Echinococcus granulosus p2X purinoceptor 4 0.0468 1 1
Loa Loa (eye worm) heterotrimeric G protein alpha subunit 0.0011 0.0006 0.0012
Loa Loa (eye worm) GTP-binding regulatory protein alpha chain 0.0011 0.0006 0.0012
Schistosoma mansoni P2X receptor subunit 0.0468 1 1
Echinococcus granulosus p2X purinoceptor 4 0.0468 1 1
Chlamydia trachomatis DNA ligase 0.001 0 0.5
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0899 0.4391
Echinococcus multilocularis p2X purinoceptor 4 0.0468 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0104 0.2048 0.2048
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0119 0.0224
Echinococcus multilocularis gtp binding protein (I) alpha 1subunit 0.0011 0.0006 0.0006
Echinococcus multilocularis guanine nucleotide binding protein (G protein) 0.0011 0.0006 0.0006
Schistosoma mansoni hypothetical protein 0.0034 0.0519 0.0519
Brugia malayi MH1 domain containing protein 0.0017 0.015 0.0283
Schistosoma mansoni GTP-binding protein alpha subunit gna 0.0011 0.0006 0.0006
Brugia malayi hypothetical protein 0.0011 0.0006 0.0012
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0119 0.0119
Echinococcus granulosus mothers against decapentaplegic 5 0.0017 0.015 0.015
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2048 1
Onchocerca volvulus 0.0011 0.0006 0.0031
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0104 0.2048 0.2048
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0017 0.015 0.015
Loa Loa (eye worm) guanine nucleotide-binding protein alpha-12 subunit 0.0011 0.0006 0.0012
Loa Loa (eye worm) hypothetical protein 0.0034 0.0519 0.098
Trichomonas vaginalis CAMK family protein kinase 0.0104 0.2048 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0249 0.5202 0.5202
Trichomonas vaginalis GTP-binding protein alpha subunit, gna, putative 0.0011 0.0006 0.0031
Onchocerca volvulus Serine\/threonine kinase homolog 0.0104 0.2048 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0249 0.5202 0.5202
Schistosoma mansoni tar DNA-binding protein 0.0064 0.118 0.118
Echinococcus multilocularis p2X purinoceptor 4 0.0468 1 1
Schistosoma mansoni GTP-binding protein (I) alpha-2 subunit gnai2 0.0011 0.0006 0.0006
Schistosoma mansoni tar DNA-binding protein 0.0064 0.118 0.118
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0519 0.098
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0249 0.5202 0.9814
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0249 0.5202 0.5202
Loa Loa (eye worm) G protein alpha subunit 3 0.0011 0.0006 0.0012
Giardia lamblia Kinase, PLK 0.0104 0.2048 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.005 0.0864 0.1631
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.005 0.0864 0.1631
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0899 0.4391
Brugia malayi RNA binding protein 0.0064 0.118 0.2227
Echinococcus multilocularis expressed protein 0.0011 0.0006 0.0006
Loa Loa (eye worm) hypothetical protein 0.005 0.0864 0.1631
Schistosoma mansoni GTP-binding protein (q) alpha-11 subunit gna11 0.0011 0.0006 0.0006
Trichomonas vaginalis G protein (olf) alpha subunit, gnal, putative 0.0011 0.0006 0.0031
Brugia malayi G-protein alpha subunit 0.0011 0.0006 0.0012
Loa Loa (eye worm) hypothetical protein 0.0011 0.0006 0.0012
Schistosoma mansoni P2X receptor subunit 0.0468 1 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 100 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] 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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