Detailed information for compound 631000

Basic information

Technical information
  • TDR Targets ID: 631000
  • Name: N-(3-methoxyphenyl)-1-phenylmethanesulfonamid e
  • MW: 277.339 | Formula: C14H15NO3S
  • H donors: 1 H acceptors: 2 LogP: 2.35 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)NS(=O)(=O)Cc1ccccc1
  • InChi: 1S/C14H15NO3S/c1-18-14-9-5-8-13(10-14)15-19(16,17)11-12-6-3-2-4-7-12/h2-10,15H,11H2,1H3
  • InChiKey: HZMBMABCEFFOCJ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-methoxyphenyl)-1-phenyl-methanesulfonamide
  • STK038611
  • ZINC00270143
  • MLS000530383
  • SMR000135360

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
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
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
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
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
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus multilocularis arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
Echinococcus granulosus GPCR family 2 0.0031 0.0293 0.052
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0036 0.0467 1
Onchocerca volvulus Deterin homolog 0.0109 0.3241 0.3241
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1198 0.2128
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3914 0.6951
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0109 0.3241 0.5755
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0038 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0416 0.0739
Echinococcus granulosus inhibitor of apoptosis protein 0.0109 0.3241 0.5755
Echinococcus granulosus geminin 0.0171 0.5631 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1198 0.2128
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0038 0.0817
Brugia malayi Calcitonin receptor-like protein seb-1 0.01 0.2887 0.3328
Brugia malayi Pre-SET motif family protein 0.0036 0.0467 0.0538
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1198 0.2128
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1198 0.1381
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0038 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1198 0.2128
Onchocerca volvulus 0.0109 0.3241 0.3241
Loa Loa (eye worm) RNA binding protein 0.0126 0.3914 0.4512
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0467 0.0829
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0036 0.0467 0.0829
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1198 0.2128
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0031 0.0293 0.052
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3914 0.6951
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0031 0.0293 0.052
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0109 0.3241 0.5755
Schistosoma mansoni hypothetical protein 0.0109 0.3241 0.5755
Loa Loa (eye worm) TAR-binding protein 0.0126 0.3914 0.4512
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1198 0.2128
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0031 0.0293 0.0337
Echinococcus multilocularis GPCR, family 2 0.0031 0.0293 0.052
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1198 0.1381
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.4523 0.8032
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.4523 0.8032
Loa Loa (eye worm) hypothetical protein 0.0031 0.0293 0.0337
Brugia malayi Latrophilin receptor protein 2 0.0031 0.0293 0.0337
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.3914 0.4512
Echinococcus multilocularis geminin 0.0171 0.5631 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0031 0.0293 0.052
Plasmodium vivax SET domain protein, putative 0.0036 0.0467 1
Brugia malayi RNA binding protein 0.0126 0.3914 0.4512
Loa Loa (eye worm) latrophilin receptor protein 2 0.0031 0.0293 0.0337
Echinococcus multilocularis inhibitor of apoptosis protein 0.0109 0.3241 0.5755
Schistosoma mansoni hypothetical protein 0.0031 0.0293 0.052
Schistosoma mansoni hypothetical protein 0.0031 0.0293 0.052
Loa Loa (eye worm) pigment dispersing factor receptor c 0.01 0.2887 0.3328
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0031 0.0293 0.052
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0038 0.5
Schistosoma mansoni lipoxygenase 0.01 0.2889 0.513
Brugia malayi hypothetical protein 0.0025 0.0038 0.0044
Schistosoma mansoni hypothetical protein 0.0171 0.5631 1
Brugia malayi TAR-binding protein 0.0126 0.3914 0.4512
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1198 0.2128
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0109 0.3241 0.5755
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0036 0.0467 0.0829
Brugia malayi Pre-SET motif family protein 0.0251 0.8676 1
Schistosoma mansoni hypothetical protein 0.0031 0.0293 0.052
Loa Loa (eye worm) hypothetical protein 0.0109 0.3241 0.3735
Echinococcus granulosus histone lysine methyltransferase setb 0.0036 0.0467 0.0829
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.3914 0.4512
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0109 0.3241 0.3735
Schistosoma mansoni hypothetical protein 0.0031 0.0293 0.052
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0036 0.0467 0.0829
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0038 0.5
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3914 0.6951
Onchocerca volvulus 0.0036 0.0467 0.0467
Loa Loa (eye worm) hypothetical protein 0.0109 0.3241 0.3735
Schistosoma mansoni inhibitor of apoptosis protein 0.0109 0.3241 0.5755
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0109 0.3241 0.3735
Echinococcus granulosus tar DNA binding protein 0.0126 0.3914 0.6951
Schistosoma mansoni hypothetical protein 0.0068 0.1686 0.2994
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3914 0.6951
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0038 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0467 0.0829
Brugia malayi latrophilin 2 splice variant baaae 0.0068 0.1686 0.1944
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.01 0.2887 0.3328
Leishmania major hypothetical protein, conserved 0.0025 0.0038 0.5
Echinococcus multilocularis tar DNA binding protein 0.0126 0.3914 0.6951
Schistosoma mansoni lipoxygenase 0.0142 0.4523 0.8032
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3914 0.6951
Loa Loa (eye worm) hypothetical protein 0.0068 0.1686 0.1944
Loa Loa (eye worm) hypothetical protein 0.01 0.2887 0.3328
Loa Loa (eye worm) hypothetical protein 0.0036 0.0467 0.0538
Trichomonas vaginalis set domain proteins, putative 0.0286 1 0.5
Schistosoma mansoni hypothetical protein 0.0171 0.5631 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0036 0.0467 0.0829
Loa Loa (eye worm) hypothetical protein 0.0025 0.0038 0.0044
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0251 0.8676 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 3.9811 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) 10 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 16.5113 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] 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.

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