Detailed information for compound 1414451

Basic information

Technical information
  • TDR Targets ID: 1414451
  • Name: 4-methoxy-N-(4-methyl-3-morpholin-4-ylsulfony lphenyl)-3-nitrobenzenesulfonamide
  • MW: 471.505 | Formula: C18H21N3O8S2
  • H donors: 1 H acceptors: 6 LogP: 1.38 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1[N+](=O)[O-])S(=O)(=O)Nc1ccc(c(c1)S(=O)(=O)N1CCOCC1)C
  • InChi: 1S/C18H21N3O8S2/c1-13-3-4-14(11-18(13)31(26,27)20-7-9-29-10-8-20)19-30(24,25)15-5-6-17(28-2)16(12-15)21(22)23/h3-6,11-12,19H,7-10H2,1-2H3
  • InChiKey: ULKVRYPMOLTUAW-UHFFFAOYSA-N  

Network

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Synonyms

  • 4-methoxy-N-(4-methyl-3-morpholinosulfonyl-phenyl)-3-nitro-benzenesulfonamide
  • 4-methoxy-N-(4-methyl-3-morpholinosulfonylphenyl)-3-nitrobenzenesulfonamide
  • 4-methoxy-N-(4-methyl-3-morpholin-4-ylsulfonyl-phenyl)-3-nitro-benzenesulfonamide
  • T5548489

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0064 0.0208 0.0208
Mycobacterium tuberculosis Probable transcriptional regulatory protein NrdR 0.0305 0.1313 0.1527
Loa Loa (eye worm) ribonucleotide reductase M2 B 0.0064 0.0208 0.0208
Echinococcus multilocularis transient receptor potential gamma protein 0.0095 0.0351 0.0351
Mycobacterium tuberculosis Probable ribonucleoside-diphosphate reductase (large subunit) NrdZ (ribonucleotide reductase) 0.0681 0.3038 0.3532
Leishmania major hypothetical protein, conserved 0.0035 0.0078 0.0078
Schistosoma mansoni lamin 0.0027 0.0037 0.0037
Schistosoma mansoni transient receptor potential channel 4 0.0095 0.0351 0.0351
Echinococcus multilocularis ribonucleoside diphosphate reductase subunit 0.0064 0.0208 0.0208
Leishmania major ribonucleoside-diphosphate reductase large chain, putative 0.2199 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0078 0.009
Brugia malayi ribonucleotide reductase 2 0.0064 0.0208 0.0208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.0532 0.0532
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0078 0.0073
Chlamydia trachomatis transcriptional repressor NrdR 0.0305 0.1313 0.1128
Mycobacterium ulcerans transcriptional regulator NrdR 0.0305 0.1313 0.1527
Onchocerca volvulus Huntingtin homolog 0.0121 0.0468 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0078 0.009
Loa Loa (eye worm) hypothetical protein 0.0035 0.0077 0.0077
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.2199 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0078 0.009
Echinococcus granulosus intermediate filament protein 0.0027 0.0037 0.0037
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0078 0.0078
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0078 0.009
Toxoplasma gondii ribonucleoside-diphosphate reductase small subunit 0.0064 0.0208 0.0208
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0064 0.0208 0.0208
Echinococcus granulosus ribonucleoside diphosphate reductase subunit 0.0064 0.0208 0.0208
Schistosoma mansoni ribonucleoside-diphosphate reductase small chain 0.0064 0.0208 0.0208
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdF1 (ribonucleotide reductase small subunit) (R2F protein) 0.0064 0.0208 0.0242
Schistosoma mansoni transient receptor potential channel 0.0063 0.0204 0.0204
Loa Loa (eye worm) hypothetical protein 0.0035 0.0078 0.0078
Toxoplasma gondii ABC1 family protein 0.0035 0.0078 0.0078
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0077 0.0077
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0078 0.009
Mycobacterium ulcerans lipase LipD 0.0035 0.0078 0.009
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.0532 0.0532
Mycobacterium tuberculosis Conserved protein 0.0035 0.0078 0.009
Echinococcus multilocularis lamin 0.0027 0.0037 0.0037
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0078 0.0078
Mycobacterium tuberculosis Probable epoxide hydrolase EphA (epoxide hydratase) (arene-oxide hydratase) 0.0169 0.0691 0.0803
Brugia malayi TAR-binding protein 0.0062 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0121 0.0468 0.0468
Schistosoma mansoni hypothetical protein 0.0047 0.0133 0.0133
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.0204 0.0204
Echinococcus granulosus ribonucleoside diphosphate reductase large 0.2199 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.0532 0.0532
Onchocerca volvulus Huntingtin homolog 0.0121 0.0468 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0199 0.0199
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit beta 0.0064 0.0208 0.0242
Loa Loa (eye worm) hypothetical protein 0.0035 0.0078 0.0078
Treponema pallidum ribonucleotide-diphosphate reductase subunit beta 0.0064 0.0208 0.0208
Loa Loa (eye worm) hypothetical protein 0.0035 0.0078 0.0078
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0199 0.0199
Mycobacterium ulcerans epoxide hydrolase EphA 0.0169 0.0691 0.0803
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0037 0.0037
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.0532 0.0532
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.0199 0.0199
Mycobacterium leprae conserved hypothetical protein 0.0305 0.1313 0.1512
Loa Loa (eye worm) ribonucleoside-diphosphate reductase large subunit 0.2199 1 1
Loa Loa (eye worm) hypothetical protein 0.0121 0.0468 0.0468
Treponema pallidum ribonucleotide-diphosphate reductase subunit alpha 0.2199 1 1
Echinococcus multilocularis ribonucleoside diphosphate reductase large 0.2199 1 1
Trypanosoma brucei ribonucleoside-diphosphate reductase large chain 0.2199 1 1
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0064 0.0208 0.0208
Echinococcus granulosus lamin 0.0027 0.0037 0.0037
Mycobacterium ulcerans beta-lactamase 0.0035 0.0078 0.009
Loa Loa (eye worm) beta-lactamase 0.0035 0.0078 0.0078
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0078 0.009
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0078 0.0078
Schistosoma mansoni ribonucleoside-diphosphate reductase alpha subunit 0.2199 1 1
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0078 0.009
Loa Loa (eye worm) hypothetical protein 0.0032 0.0063 0.0063
Wolbachia endosymbiont of Brugia malayi ribonucleotide-diphosphate reductase subunit alpha 0.1894 0.8602 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.0069 0.0069
Loa Loa (eye worm) hypothetical protein 0.0035 0.0078 0.0078
Echinococcus multilocularis transient receptor potential ion channel A 0.0092 0.0337 0.0337
Echinococcus multilocularis survival motor neuron protein 1 0.0233 0.0982 0.0982
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.014 0.014
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0078 0.009
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0078 0.009
Echinococcus granulosus lamin dm0 0.0027 0.0037 0.0037
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0022 0.0014 0.0014
Trypanosoma cruzi ribonucleoside-diphosphate reductase large chain, putative 0.0581 0.258 0.258
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0078 0.009
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0199 0.0199
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0078 0.0078
Loa Loa (eye worm) TAR-binding protein 0.0062 0.0199 0.0199
Echinococcus granulosus transient receptor potential gamma protein 0.0095 0.0351 0.0351
Entamoeba histolytica hypothetical protein 0.0035 0.0077 1
Plasmodium vivax ribonucleoside-diphosphate reductase large chain, putative 0.2199 1 1
Loa Loa (eye worm) hypothetical protein 0.0233 0.0982 0.0982
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0037 0.0037
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0798 0.3573 0.3573
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0077 0.0077
Plasmodium vivax ribonucleotide reductase small subunit, putative 0.0022 0.0014 0.0014
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0078 0.009
Plasmodium falciparum ribonucleoside-diphosphate reductase large subunit, putative 0.2199 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0078 0.0078
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0078 0.009
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0078 0.009
Trichomonas vaginalis esterase, putative 0.0035 0.0078 0.009
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0134 0.0532 0.0532
Brugia malayi beta-lactamase family protein 0.0035 0.0078 0.0078
Loa Loa (eye worm) hypothetical protein 0.0035 0.0078 0.0078
Echinococcus multilocularis TRP (transient receptor potential) channel 0.0035 0.0077 0.0077
Echinococcus multilocularis tar DNA binding protein 0.0062 0.0199 0.0199
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0064 0.0208 0.0208
Schistosoma mansoni hypothetical protein 0.0034 0.0069 0.0069
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.0204 0.0204
Mycobacterium leprae Probable lipase LipE 0.0035 0.0078 0.0073
Echinococcus granulosus survival motor neuron protein 1 0.0233 0.0982 0.0982
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0078 0.0078
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.0199 0.0199
Echinococcus multilocularis musashi 0.0027 0.0037 0.0037
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (alpha chain) NrdE (ribonucleotide reductase small subunit) (R1F protein) 0.1894 0.8602 1
Brugia malayi Transient-receptor-potential like protein 0.0035 0.0077 0.0077
Schistosoma mansoni intermediate filament proteins 0.0027 0.0037 0.0037
Brugia malayi hypothetical protein 0.0121 0.0468 0.0468
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.014 0.014
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.0532 0.0532
Loa Loa (eye worm) hypothetical protein 0.0035 0.0078 0.0078
Brugia malayi hypothetical protein 0.0233 0.0982 0.0982
Trichomonas vaginalis ribonucleoside-diphosphate reductase alpha chain, putative 0.1894 0.8602 1
Loa Loa (eye worm) hypothetical protein 0.0049 0.014 0.014
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0078 0.0078
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.0133 0.0133
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0199 0.0199
Loa Loa (eye worm) hypothetical protein 0.0027 0.0037 0.0037
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.014 0.014
Toxoplasma gondii ribonucleoside-diphosphate reductase large chain 0.2199 1 1
Brugia malayi RNA binding protein 0.0062 0.0199 0.0199
Trypanosoma cruzi ribonucleoside-diphosphate reductase small chain, putative 0.0064 0.0208 0.0208
Brugia malayi beta-lactamase 0.0035 0.0078 0.0078
Onchocerca volvulus 0.0035 0.0078 0.0946
Plasmodium falciparum ribonucleoside-diphosphate reductase small chain, putative 0.0022 0.0014 0.0014
Echinococcus multilocularis short transient receptor potential channel 6 0.0063 0.0204 0.0204
Entamoeba histolytica hypothetical protein 0.0035 0.0077 1
Schistosoma mansoni lamin 0.0027 0.0037 0.0037
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit beta 0.0022 0.0014 0.0017
Mycobacterium tuberculosis Ribonucleoside-diphosphate reductase (beta chain) NrdB (ribonucleotide reductase small chain) 0.0064 0.0208 0.0242
Schistosoma mansoni tar DNA-binding protein 0.0062 0.0199 0.0199
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0078 0.009
Echinococcus multilocularis lamin dm0 0.0027 0.0037 0.0037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.0532 0.0532
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain, putative 0.0064 0.0208 0.0208
Schistosoma mansoni hypothetical protein 0.0035 0.0077 0.0077
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0078 0.0078
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0078 0.0078
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0 0.5
Onchocerca volvulus 0.0035 0.0078 0.0946
Schistosoma mansoni transient receptor potential channel 0.0063 0.0204 0.0204
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0064 0.0208 0.0208
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0078 0.0078
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0037 0.0037
Trypanosoma brucei ribonucleoside-diphosphate reductase small chain 0.0064 0.0208 0.0208
Echinococcus granulosus TRP transient receptor potential channel 0.0035 0.0077 0.0077
Mycobacterium leprae RIBONUCLEOSIDE-DIPHOSPHATE REDUCTASE (ALPHA CHAIN) NRDE (RIBONUCLEOTIDE REDUCTASE SMALL SUBUNIT) (R1F PROTEIN) 0.1894 0.8602 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0078 0.009
Schistosoma mansoni transient receptor potential channel 0.0095 0.0351 0.0351
Onchocerca volvulus 0.0035 0.0078 0.0946
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.0953 0.1108
Brugia malayi intermediate filament protein 0.0027 0.0037 0.0037
Onchocerca volvulus 0.0047 0.0133 0.2226
Mycobacterium ulcerans ribonucleotide-diphosphate reductase subunit alpha 0.1894 0.8602 1
Chlamydia trachomatis ribonucleoside-diphosphate reductase subunit alpha 0.2199 1 1
Schistosoma mansoni survival motor neuron protein 0.0047 0.0133 0.0133
Brugia malayi hypothetical protein 0.0035 0.0077 0.0077
Echinococcus granulosus transient receptor potential ion channel A 0.0092 0.0337 0.0337
Loa Loa (eye worm) hypothetical protein 0.0026 0.0035 0.0035
Echinococcus granulosus tar DNA binding protein 0.0062 0.0199 0.0199
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.0532 0.0532
Entamoeba histolytica hypothetical protein 0.0035 0.0077 1
Mycobacterium ulcerans hypothetical protein 0.0035 0.0078 0.009
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0077 0.0077
Loa Loa (eye worm) hypothetical protein 0.0095 0.0351 0.0351
Leishmania major ribonucleoside-diphosphate reductase small chain, putative 0.0064 0.0208 0.0208
Plasmodium vivax ribonucleoside-diphosphate reductase small chain, putative 0.0064 0.0208 0.0208
Echinococcus granulosus short transient receptor potential channel 6 0.0063 0.0204 0.0204
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0134 0.0532 0.0532
Brugia malayi beta-lactamase family protein 0.0035 0.0078 0.0078
Loa Loa (eye worm) RNA binding protein 0.0062 0.0199 0.0199
Mycobacterium tuberculosis Conserved protein 0.0035 0.0078 0.009
Entamoeba histolytica hypothetical protein 0.0035 0.0077 1
Loa Loa (eye worm) hypothetical protein 0.006 0.0189 0.0189
Brugia malayi latrophilin 2 splice variant baaae 0.0034 0.0069 0.0069

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 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

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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