Detailed information for compound 1473583

Basic information

Technical information
  • TDR Targets ID: 1473583
  • Name: N-[(2,3-dimethoxyphenyl)methyl]-2-[dimethylsu lfamoyl-(4-methylphenyl)amino]acetamide
  • MW: 421.51 | Formula: C20H27N3O5S
  • H donors: 1 H acceptors: 3 LogP: 2.13 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1OC)CNC(=O)CN(S(=O)(=O)N(C)C)c1ccc(cc1)C
  • InChi: 1S/C20H27N3O5S/c1-15-9-11-17(12-10-15)23(29(25,26)22(2)3)14-19(24)21-13-16-7-6-8-18(27-4)20(16)28-5/h6-12H,13-14H2,1-5H3,(H,21,24)
  • InChiKey: QJHRDXNMHAKSBF-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • N-(2,3-dimethoxybenzyl)-2-[dimethylsulfamoyl-(4-methylphenyl)amino]acetamide
  • N-[(2,3-dimethoxyphenyl)methyl]-2-[dimethylsulfamoyl-(4-methylphenyl)amino]ethanamide
  • NCGC00112010-01
  • C700-2171

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucosidase, alpha Starlite/ChEMBL No references
Homo sapiens tumor protein p53 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Glycosyl hydrolases family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Schistosoma japonicum ko:K01187 alpha-glucosidase [EC3.2.1.20], putative Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus granulosus lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma mansoni alpha-glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis lysosomal alpha glucosidase Get druggable targets OG5_127055 All targets in OG5_127055
Onchocerca volvulus Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Schistosoma japonicum Lysosomal alpha-glucosidase precursor, putative Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans cell wall mannoprotein glycosyl hydrolase whose expression increases in presence of galatose Get druggable targets OG5_127055 All targets in OG5_127055
Candida albicans closely related to C. albicans GCA1 cell wall mannoprotein glycosyl hydrolase Get druggable targets OG5_127055 All targets in OG5_127055
Loa Loa (eye worm) glycosyl hydrolase family 31 protein Get druggable targets OG5_127055 All targets in OG5_127055
Echinococcus multilocularis tumor protein p63 Get druggable targets OG5_140038 All targets in OG5_140038
Candida albicans hypothetical protein Get druggable targets OG5_127055 All targets in OG5_127055

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
Toxoplasma gondii ion channel protein 0.0054 0.0068 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Echinococcus multilocularis twik family of potassium channels 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Schistosoma mansoni twik family of potassium channels-related 0.0054 0.0068 0.0068
Plasmodium vivax potassium channel, putative 0.0054 0.0068 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Leishmania major ion transport protein-like protein 0.0054 0.0068 0.4729
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39A 0.0054 0.0068 0.0674
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 30. 0.0054 0.0068 0.0674
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0068 0.4729
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Trypanosoma cruzi ion transport protein, putative 0.0054 0.0068 0.4729
Echinococcus granulosus lysosomal alpha glucosidase 0.0197 0.101 0.101
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0057 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.101 0.101
Brugia malayi hypothetical protein 0.0054 0.0068 0.0674
Schistosoma mansoni twik family of potassium channels-related 0.0054 0.0068 0.0068
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 39B 0.0054 0.0068 0.0674
Brugia malayi Glycosyl hydrolases family 31 protein 0.0197 0.101 1
Brugia malayi Cytochrome P450 family protein 0.0046 0.0018 0.0181
Echinococcus granulosus calcium activated potassium channel variant 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Schistosoma mansoni hypothetical protein 0.0054 0.0068 0.0068
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.006 0.0107 0.7397
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 5 0.0054 0.0068 0.0674
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 38. C. elegans sup-9 ortholog 0.0054 0.0068 0.0674
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Brugia malayi jmjC domain containing protein 0.006 0.011 0.1092
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Echinococcus multilocularis microtubule associated protein 2 0.0708 0.4386 0.4386
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Trypanosoma brucei calcium/potassium channel (CAKC), putative 0.0054 0.0068 0.4729
Trypanosoma cruzi cruzipain precursor, putative 0.0065 0.0144 1
Schistosoma mansoni calcium-activated potassium channel 0.1559 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Schistosoma mansoni jumonji/arid domain-containing protein 0.006 0.011 0.011
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 21 0.0054 0.0068 0.0674
Loa Loa (eye worm) S-phase kinase-associated protein 1A 0.0054 0.0068 0.0068
Echinococcus multilocularis calcium activated potassium channel variant 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Leishmania major cathepsin L-like protease 0.0065 0.0144 1
Echinococcus multilocularis potassium channel subfamily K 8 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0054 0.0068 0.4729
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.006 0.011 0.011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Echinococcus multilocularis tumor protein p63 0.0408 0.2404 0.2404
Schistosoma mansoni twik family of potassium channels-related 0.0054 0.0068 0.0068
Schistosoma mansoni twik family of potassium channels-related 0.0054 0.0068 0.0068
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0054 0.0068 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Mycobacterium ulcerans transmembrane cation transporter 0.0054 0.0068 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Schistosoma mansoni calcium-activated potassium channel 0.0054 0.0068 0.0068
Trypanosoma brucei calcium-activated potassium channel, putative 0.0054 0.0068 0.4729
Onchocerca volvulus 0.006 0.0106 0.0961
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0057 0.0086 0.0086
Echinococcus granulosus twik family of potassium channels 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0452 0.2694 0.2694
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Plasmodium falciparum potassium channel 0.0054 0.0068 0.5
Schistosoma mansoni twik family of potassium channels-related 0.0054 0.0068 0.0068
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 12 0.0054 0.0068 0.0674
Loa Loa (eye worm) large conductance calcium-activated potassium channel alpha subunit ai 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Echinococcus granulosus twik family of potassium channels 0.0054 0.0068 0.0068
Echinococcus granulosus tumor protein p63 0.0408 0.2404 0.2404
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 28 0.0054 0.0068 0.0674
Echinococcus multilocularis potassium channel subfamily K 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.1559 1 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.006 0.011 0.011
Loa Loa (eye worm) potassium voltage-gated channel subfamily Q member 5 0.0054 0.0068 0.0068
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 19. C. elegans unc-58 ortholog 0.0054 0.0068 0.0674
Schistosoma mansoni calcium-activated potassium channel 0.1053 0.6661 0.6661
Loa Loa (eye worm) TWK-28 protein 0.0054 0.0068 0.0068
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Toxoplasma gondii ion channel protein 0.0054 0.0068 1
Plasmodium vivax potassium channel, putative 0.0054 0.0068 0.5
Echinococcus multilocularis TWiK family of potassium channels protein 7 0.0054 0.0068 0.0068
Leishmania major cathepsin L-like protease 0.0065 0.0144 1
Trypanosoma cruzi hypothetical protein, conserved 0.0054 0.0068 0.4729
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Brugia malayi jmjC domain containing protein 0.006 0.011 0.1092
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0054 0.0068 1
Schistosoma mansoni microtubule-associated protein tau 0.0708 0.4386 0.4386
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 35 0.0054 0.0068 0.0674
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0144 1
Plasmodium falciparum potassium channel 0.0054 0.0068 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0144 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 24 0.0054 0.0068 0.0674
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0052 0.3578
Leishmania major calcium/potassium channel (CAKC), putative 0.0054 0.0068 0.4729
Echinococcus multilocularis Two pore potassium channel protein sup 9 0.0054 0.0068 0.0068
Schistosoma mansoni alpha-glucosidase 0.0169 0.0829 0.0829
Mycobacterium ulcerans ion transport protein 0.0054 0.0068 0.5
Trypanosoma cruzi calcium-activated potassium channel, putative 0.0054 0.0068 0.4729
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 17 0.0054 0.0068 0.0674
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Echinococcus granulosus potassium channel subfamily K 8 0.0054 0.0068 0.0068
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0054 0.0068 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 32 0.0054 0.0068 0.0674
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Leishmania major potassium channel subunit-like protein 0.0054 0.0068 0.4729
Trypanosoma cruzi cysteine peptidase, putative 0.0065 0.0144 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Echinococcus granulosus microtubule associated protein 2 0.0708 0.4386 0.4386
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.1559 1 1
Echinococcus multilocularis small conductance calcium activated potassium 0.1559 1 1
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 45 0.0054 0.0068 0.0674
Schistosoma mansoni jumonji domain containing protein 0.006 0.011 0.011
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0054 0.0068 0.4729
Leishmania major hypothetical protein, conserved 0.0054 0.0068 0.4729
Trypanosoma cruzi ion transport protein, putative 0.0054 0.0068 0.4729
Loa Loa (eye worm) hypothetical protein 0.0498 0.2999 0.2999
Leishmania major hypothetical protein, conserved 0.0054 0.0068 0.4729
Loa Loa (eye worm) TWK-7 protein 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Trypanosoma cruzi calcium/potassium channel (CAKC), putative 0.0054 0.0068 0.4729
Leishmania major cathepsin L-like protease 0.0065 0.0144 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0054 0.0068 1
Schistosoma mansoni alpha-glucosidase 0.0169 0.0829 0.0829
Echinococcus granulosus potassium channel subfamily K 8 0.0054 0.0068 0.0068
Brugia malayi hypothetical protein 0.0054 0.0068 0.0674
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 7 0.0054 0.0068 0.0674
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Echinococcus granulosus potassium channel subfamily K 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.006 0.0106 0.0106
Echinococcus multilocularis twik family of potassium channels 0.0054 0.0068 0.0068
Schistosoma mansoni calcium-activated potassium channel 0.0054 0.0068 0.0068
Echinococcus granulosus TWiK family of potassium channels protein 7 0.0054 0.0068 0.0068
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Loa Loa (eye worm) jmjC domain-containing protein 0.006 0.011 0.011
Schistosoma mansoni lipoxygenase 0.0057 0.0086 0.0086
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0197 0.101 0.101
Loa Loa (eye worm) hypothetical protein 0.0555 0.3374 0.3374
Echinococcus multilocularis lysine specific demethylase 5A 0.006 0.011 0.011
Entamoeba histolytica calcium-gated potassium channel protein, putative 0.0054 0.0068 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Giardia lamblia Hypothetical protein 0.0054 0.0068 0.5
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Loa Loa (eye worm) uncoordinated protein 58 0.0054 0.0068 0.0068
Brugia malayi Twik (KCNK-like) family of potassium channels, alpha subunit 13 0.0054 0.0068 0.0674
Onchocerca volvulus 0.0114 0.0463 1
Echinococcus granulosus Two pore potassium channel protein sup 9 0.0054 0.0068 0.0068
Schistosoma mansoni twik family of potassium channels-related 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Schistosoma mansoni twik family of potassium channels-related 0.0054 0.0068 0.0068
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Echinococcus granulosus lysine specific demethylase 5A 0.006 0.011 0.011
Loa Loa (eye worm) hypothetical protein 0.0054 0.0068 0.0068
Mycobacterium tuberculosis Possible transmembrane cation transporter 0.0054 0.0068 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0065 0.0144 1
Brugia malayi Twik (KCNK-like) family of potasium channels, alpha subunit 40 0.0054 0.0068 0.0674
Echinococcus multilocularis lysosomal alpha glucosidase 0.0197 0.101 0.101
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0054 0.0068 1
Schistosoma mansoni twik family of potassium channels-related 0.0054 0.0068 0.0068
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0018 0.0018
Echinococcus multilocularis potassium channel subfamily K 8 0.0054 0.0068 0.0068

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 0.004 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Nonpermissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53 Null Cells at the Permissive Temperature. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 100 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
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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