Detailed information for compound 800580

Basic information

Technical information
  • TDR Targets ID: 800580
  • Name: 4-[[2-(4-methyl-2-oxochromen-7-yl)oxyacetyl]a mino]benzenesulfonate
  • MW: 388.371 | Formula: C18H14NO7S-
  • H donors: 1 H acceptors: 5 LogP: 1.37 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)[O-])COc1ccc2c(c1)oc(=O)cc2C
  • InChi: 1S/C18H15NO7S/c1-11-8-18(21)26-16-9-13(4-7-15(11)16)25-10-17(20)19-12-2-5-14(6-3-12)27(22,23)24/h2-9H,10H2,1H3,(H,19,20)(H,22,23,24)/p-1
  • InChiKey: UTCAGNQQYBAYSD-UHFFFAOYSA-M  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[[2-(4-methyl-2-oxo-chromen-7-yl)oxyacetyl]amino]benzenesulfonate
  • 4-[[2-[(4-methyl-2-oxo-7-chromenyl)oxy]-1-oxoethyl]amino]benzenesulfonate
  • 4-[[2-(2-keto-4-methyl-chromen-7-yl)oxyacetyl]amino]benzenesulfonate
  • 4-[2-(4-methyl-2-oxo-chromen-7-yl)oxyethanoylamino]benzenesulfonate
  • ZINC02189044
  • A1657/0070661
  • AG-205/37086093

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
Brugia malayi Helix-loop-helix DNA-binding domain containing protein 0.0077 0.0328 0.0328
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0087 0.0407 0.1256
Brugia malayi Heterochromatin protein 1 0.0143 0.0859 0.0859
Brugia malayi jmjC domain containing protein 0.0126 0.0724 0.0724
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0323 0.232 0.232
Loa Loa (eye worm) CXXC zinc finger family protein 0.006 0.0187 0.0187
Loa Loa (eye worm) hypothetical protein 0.0076 0.032 0.032
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0059 0.0179 0.4471
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0466 0.0466
Schistosoma mansoni jumonji/arid domain-containing protein 0.0126 0.0724 0.2235
Schistosoma mansoni jumonji/arid domain-containing protein 0.0126 0.0724 0.2235
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0466 0.0466
Schistosoma mansoni hypothetical protein 0.0102 0.0529 0.1633
Onchocerca volvulus 0.0135 0.0798 0.1725
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0466 0.1438
Schistosoma mansoni hypothetical protein 0.0221 0.1491 0.4604
Brugia malayi PHD-finger family protein 0.0093 0.0454 0.0454
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0059 0.0179 0.0402
Loa Loa (eye worm) hypothetical protein 0.0076 0.032 0.032
Echinococcus granulosus aryl hydrocarbon receptor 0.0136 0.0807 0.0807
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0159 0.0988 0.0988
Schistosoma mansoni ap endonuclease 0.0041 0.003 0.0092
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0041 0.003 0.003
Echinococcus granulosus dnaJ subfamily B 0.0436 0.3238 0.3238
Schistosoma mansoni bromodomain containing protein 0.0341 0.2469 0.7624
Schistosoma mansoni single-minded 0.0134 0.0785 0.2424
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0059 0.0179 0.0402
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0044 0.0054 0.0054
Loa Loa (eye worm) hypothetical protein 0.1269 1 1
Loa Loa (eye worm) hypothetical protein 0.0063 0.0209 0.0209
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.016 0.0351
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0466 0.1438
Plasmodium vivax SET domain protein, putative 0.0064 0.0217 0.4408
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0436 0.3243 0.3243
Echinococcus multilocularis lysine specific demethylase 5A 0.0113 0.0613 0.0613
Echinococcus granulosus histone lysine methyltransferase setb 0.0155 0.0956 0.0956
Echinococcus multilocularis PHD finger protein rhinoceros 0.0093 0.0454 0.0454
Schistosoma mansoni aryl hydrocarbon receptor nuclear translocator homolog (darnt) 0.0176 0.1128 0.3485
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0466 0.0466
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0059 0.0179 0.0402
Brugia malayi hypothetical protein 0.0076 0.032 0.032
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0086 0.0399 0.0598
Loa Loa (eye worm) jmjC domain-containing protein 0.0126 0.0724 0.0724
Schistosoma mansoni cpg binding protein 0.0074 0.0298 0.0919
Loa Loa (eye worm) hypothetical protein 0.0217 0.1464 0.1464
Trichomonas vaginalis chromobox protein, putative 0.0143 0.0859 0.2241
Brugia malayi CXXC zinc finger family protein 0.006 0.0187 0.0187
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0102 0.0529 0.0529
Loa Loa (eye worm) hypothetical protein 0.0076 0.032 0.032
Loa Loa (eye worm) hypothetical protein 0.0231 0.1575 0.1575
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0059 0.0179 0.5
Loa Loa (eye worm) hypothetical protein 0.0102 0.0529 0.0529
Onchocerca volvulus Alhambra homolog 0.0093 0.0454 0.0754
Echinococcus multilocularis muscleblind protein 1 0.1269 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0217 0.067
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0093 0.0454 0.1403
Trichomonas vaginalis chromobox protein, putative 0.0086 0.0399 0.0998
Echinococcus granulosus muscleblind protein 0.1269 1 1
Loa Loa (eye worm) PHD-finger family protein 0.0093 0.0454 0.0454
Schistosoma mansoni chromobox protein 0.0143 0.0859 0.2655
Mycobacterium leprae Possible regulatory protein 0.0059 0.0179 0.5
Echinococcus multilocularis GPCR, family 2 0.0102 0.0529 0.0529
Loa Loa (eye worm) jmjC domain-containing protein 0.0192 0.1258 0.1258
Schistosoma mansoni zinc finger protein 0.0108 0.0575 0.1777
Brugia malayi hypothetical protein 0.0448 0.3333 0.3333
Brugia malayi Bromodomain containing protein 0.0404 0.2976 0.2976
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0059 0.0179 0.0402
Toxoplasma gondii PHD-finger domain-containing protein 0.0093 0.0454 0.594
Schistosoma mansoni chromobox protein 0.0143 0.0859 0.2655
Mycobacterium ulcerans putative regulatory protein 0.0075 0.0306 1
Loa Loa (eye worm) PHD-finger family protein 0.011 0.0593 0.0593
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0059 0.0179 0.0402
Echinococcus granulosus PHD finger protein rhinoceros 0.0093 0.0454 0.0454
Trichomonas vaginalis conserved hypothetical protein 0.0057 0.016 0.0351
Echinococcus multilocularis chromobox protein 1 0.0143 0.0859 0.0859
Schistosoma mansoni zinc finger protein 0.0082 0.0362 0.1119
Loa Loa (eye worm) bromodomain containing protein 0.0094 0.0465 0.0465
Loa Loa (eye worm) hypothetical protein 0.0323 0.232 0.232
Brugia malayi chromobox protein homolog 3 0.008 0.035 0.035
Loa Loa (eye worm) heterochromatin protein 1 0.0143 0.0859 0.0859
Treponema pallidum exodeoxyribonuclease (exoA) 0.0041 0.003 0.5
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0217 0.2618
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0041 0.003 0.5
Trichomonas vaginalis guanylate cyclase, putative 0.0059 0.0179 0.0402
Loa Loa (eye worm) hypothetical protein 0.0044 0.0057 0.0057
Loa Loa (eye worm) helix-loop-helix DNA-binding domain-containing protein 0.0077 0.0328 0.0328
Echinococcus multilocularis geminin 0.0181 0.1165 0.1165
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0059 0.0179 0.4471
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0179 0.0402
Brugia malayi Pre-SET motif family protein 0.0436 0.3243 0.3243
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0059 0.0179 0.4471
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0466 0.0466
Schistosoma mansoni jumonji domain containing protein 0.0242 0.1663 0.5137
Loa Loa (eye worm) hypoxia-induced factor 1 0.0312 0.2235 0.2235
Echinococcus multilocularis muscleblind protein 0.1269 1 1
Echinococcus multilocularis chromobox protein 1 0.0143 0.0859 0.0859
Schistosoma mansoni hypothetical protein 0.0102 0.0529 0.1633
Brugia malayi Bromodomain containing protein 0.0106 0.0557 0.0557
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0179 0.0402
Schistosoma mansoni hypothetical protein 0.011 0.0593 0.1833
Trypanosoma cruzi ISWI complex protein 0.0082 0.0362 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0322 0.2314 0.2314
Onchocerca volvulus 0.0063 0.0209 0.0063
Onchocerca volvulus 0.0087 0.0407 0.062
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0323 0.232 0.232
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0044 0.0054 0.0054
Brugia malayi Latrophilin receptor protein 2 0.0102 0.0529 0.0529
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0041 0.003 0.5
Trypanosoma cruzi ISWI complex protein 0.0082 0.0362 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0102 0.0529 0.0529
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.006 0.0188 0.0188
Brugia malayi bHLH-PAS transcription factor 0.0075 0.0306 0.0306
Echinococcus granulosus jumonji domain containing protein 0.0129 0.075 0.075
Toxoplasma gondii histone lysine methyltransferase SET1 0.0129 0.0744 1
Brugia malayi aryl hydrocarbon receptor AHR-1 0.0076 0.032 0.032
Loa Loa (eye worm) hypothetical protein 0.1269 1 1
Onchocerca volvulus Protein cycle homolog 0.0077 0.0328 0.0399
Loa Loa (eye worm) hypothetical protein 0.0076 0.032 0.032
Trichomonas vaginalis guanylate cyclase, putative 0.0059 0.0179 0.0402
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0059 0.0179 0.4471
Trichomonas vaginalis conserved hypothetical protein 0.0059 0.0179 0.0402
Loa Loa (eye worm) hypothetical protein 0.0448 0.3333 0.3333
Schistosoma mansoni mixed-lineage leukemia protein mll 0.013 0.0752 0.2323
Leishmania major protein kinase, putative 0.0059 0.0179 0.4471
Brugia malayi Bromodomain containing protein 0.0204 0.1359 0.1359
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0322 0.2314 0.2314
Schistosoma mansoni hypothetical protein 0.0093 0.0454 0.1403
Echinococcus multilocularis jumonji domain containing protein 0.0129 0.075 0.075
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0217 0.0217
Brugia malayi latrophilin 2 splice variant baaae 0.0221 0.1491 0.1491
Loa Loa (eye worm) hypothetical protein 0.0205 0.1362 0.1362
Leishmania major protein kinase, putative 0.0059 0.0179 0.4471
Loa Loa (eye worm) hypothetical protein 0.008 0.035 0.035
Echinococcus multilocularis dnaJ subfamily B 0.0436 0.3238 0.3238
Schistosoma mansoni hypothetical protein 0.0102 0.0529 0.1633
Echinococcus granulosus methyl CpG binding domain protein 2 0.0091 0.0438 0.0438
Echinococcus multilocularis cpg binding protein 0.0074 0.0298 0.0298
Echinococcus granulosus chromobox protein 1 0.0143 0.0859 0.0859
Echinococcus multilocularis aryl hydrocarbon receptor 0.0136 0.0807 0.0807
Trichomonas vaginalis conserved hypothetical protein 0.008 0.035 0.0864
Loa Loa (eye worm) hypothetical protein 0.0159 0.0993 0.0993
Brugia malayi aryl hydrocarbon receptor nuclear translocator protein, putative 0.0176 0.1128 0.1128
Loa Loa (eye worm) hypothetical protein 0.0059 0.0179 0.0179
Echinococcus granulosus single minded 2 0.0075 0.0306 0.0306
Schistosoma mansoni aryl hydrocarbon receptor 0.0135 0.0794 0.2451
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0091 0.0438 0.0438
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0124 0.0704 0.2174
Plasmodium falciparum phd finger protein, putative 0.0093 0.0454 1
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0159 0.0988 0.0988
Schistosoma mansoni hypothetical protein 0.0181 0.1165 0.3599
Toxoplasma gondii PHD-finger domain-containing protein 0.0093 0.0454 0.594
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0102 0.0529 0.0529
Brugia malayi jmjC domain containing protein 0.0304 0.2171 0.2171
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0124 0.0704 0.0704
Brugia malayi hypothetical protein 0.0077 0.0328 0.0328
Brugia malayi PHD-finger family protein 0.0136 0.0806 0.0806
Echinococcus multilocularis peregrin 0.0106 0.0557 0.0557
Brugia malayi hypoxia-induced factor 1 0.0312 0.2235 0.2235
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0059 0.0179 0.4471
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0102 0.0529 0.0529
Trichomonas vaginalis chromobox protein, putative 0.0143 0.0859 0.2241
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0155 0.0956 0.2952
Schistosoma mansoni cpg binding protein 0.006 0.0187 0.0578
Schistosoma mansoni hypothetical protein 0.0102 0.0529 0.1633
Trichomonas vaginalis conserved hypothetical protein 0.008 0.035 0.0864
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0466 0.0466
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0155 0.0956 0.2952
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0059 0.0179 0.4471
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0041 0.003 0.003
Schistosoma mansoni hypothetical protein 0.0082 0.0362 0.1119
Schistosoma mansoni hypothetical protein 0.0436 0.3238 1
Trichomonas vaginalis set domain proteins, putative 0.0497 0.3731 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0041 0.003 0.003
Brugia malayi PHD-finger family protein 0.0044 0.0057 0.0057
Leishmania major hypothetical protein, conserved 0.0082 0.0362 1
Echinococcus multilocularis zinc finger protein 0.0108 0.0575 0.0575
Onchocerca volvulus 0.0076 0.0315 0.036
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0466 0.1438
Schistosoma mansoni hypothetical protein 0.0181 0.1165 0.3599
Trypanosoma brucei ISWI complex protein 0.0082 0.0362 1
Echinococcus granulosus peregrin 0.0106 0.0557 0.0557
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0466 0.0466
Schistosoma mansoni methyl-cpg binding protein mbd 0.0091 0.0438 0.1354
Giardia lamblia PHD finger protein 15 0.0093 0.0454 1
Echinococcus granulosus cpg binding protein 0.0074 0.0298 0.0298
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0192 0.1256 0.1256
Echinococcus granulosus geminin 0.0181 0.1165 0.1165
Trichomonas vaginalis adenylate cyclase, putative 0.0059 0.0179 0.0402
Brugia malayi exodeoxyribonuclease III family protein 0.0041 0.003 0.003
Schistosoma mansoni ap endonuclease 0.0041 0.003 0.0092
Echinococcus granulosus GPCR family 2 0.0102 0.0529 0.0529
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0048 0.0086 0.0266
Brugia malayi Calcitonin receptor-like protein seb-1 0.0323 0.232 0.232
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0102 0.0529 0.0529
Brugia malayi F/Y-rich N-terminus family protein 0.0061 0.0197 0.0197
Loa Loa (eye worm) hypothetical protein 0.0155 0.0956 0.0956
Echinococcus granulosus lysine specific demethylase 5A 0.0126 0.0724 0.0724
Trichomonas vaginalis chromobox protein, putative 0.0086 0.0399 0.0998
Echinococcus granulosus fetal alzheimer antigen falz 0.0124 0.0704 0.0704
Brugia malayi Pre-SET motif family protein 0.0064 0.0217 0.0217
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0059 0.0179 0.4471
Loa Loa (eye worm) hypothetical protein 0.0221 0.1491 0.1491
Echinococcus multilocularis transfer RNA-Lys 0.0075 0.0306 0.0306
Onchocerca volvulus Heterochromatin protein 1 homolog 0.008 0.035 0.0459
Loa Loa (eye worm) hypothetical protein 0.0377 0.2763 0.2763
Loa Loa (eye worm) hypothetical protein 0.0093 0.0454 0.0454
Schistosoma mansoni cpg binding protein 0.0074 0.0298 0.0919
Plasmodium vivax hypothetical protein, conserved 0.0093 0.0454 1
Brugia malayi PAS domain containing protein 0.0134 0.0785 0.0785
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0041 0.003 0.5
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0304 0.2171 0.2171
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0235 0.1607 0.1607
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0155 0.0956 0.0956
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0192 0.1256 0.1256
Onchocerca volvulus 0.0497 0.3731 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0091 0.0438 0.1354
Echinococcus granulosus zinc finger protein 0.0108 0.0575 0.0575
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0304 0.2171 0.2171
Echinococcus granulosus chromobox protein 1 0.0143 0.0859 0.0859
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0102 0.0529 0.0529

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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