Detailed information for compound 1553890

Basic information

Technical information
  • TDR Targets ID: 1553890
  • Name: 2-[(2-methoxyphenyl)-thiophen-2-ylsulfonylami no]-N-methyl-N-(phenylmethyl)acetamide
  • MW: 430.54 | Formula: C21H22N2O4S2
  • H donors: 0 H acceptors: 3 LogP: 3.64 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccccc1N(S(=O)(=O)c1cccs1)CC(=O)N(Cc1ccccc1)C
  • InChi: 1S/C21H22N2O4S2/c1-22(15-17-9-4-3-5-10-17)20(24)16-23(18-11-6-7-12-19(18)27-2)29(25,26)21-13-8-14-28-21/h3-14H,15-16H2,1-2H3
  • InChiKey: ONEKAFADBGWSCT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-[(2-methoxyphenyl)-(2-thienylsulfonyl)amino]-N-methyl-N-(phenylmethyl)acetamide
  • N-(benzyl)-2-[(2-methoxyphenyl)-(2-thienylsulfonyl)amino]-N-methyl-acetamide
  • 2-[(2-methoxyphenyl)-thiophen-2-ylsulfonyl-amino]-N-methyl-N-(phenylmethyl)ethanamide
  • T5516352

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) hypothetical protein 0.0023 0.001 0.04
Loa Loa (eye worm) hypothetical protein 0.0042 0.0029 0.1252
Brugia malayi intermediate filament protein 0.0031 0.0018 0.0016
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3679 0.3896 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.04
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0041 0.0103
Trypanosoma cruzi BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0023 0.001 0.0007
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.9423 1 1
Schistosoma mansoni hypothetical protein 0.0096 0.0087 0.0084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0041 0.0039
Loa Loa (eye worm) hypothetical protein 0.0042 0.0029 0.1252
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0002 0.0087
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.3679 0.3896 1
Brugia malayi hypothetical protein 0.0023 0.001 0.0007
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.04
Brugia malayi AMP-binding enzyme family protein 0.0056 0.0044 0.0042
Echinococcus multilocularis acetyl coenzyme A synthetase, cytoplasmic 0.0016 0.0002 0.0004
Entamoeba histolytica hypothetical protein 0.0042 0.0029 0.0069
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD1 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0002 0.0002
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.9423 1 1
Schistosoma mansoni chromosome transmission fidelity factor 0.0023 0.001 0.0007
Echinococcus multilocularis muscleblind protein 1 0.0173 0.0168 0.043
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0003 0.0103
Echinococcus multilocularis tumor protein p63 0.0404 0.0414 0.1061
Brugia malayi Zinc finger, C2H2 type family protein 0.3679 0.3896 0.3894
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.001 0.0019
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0099 0.0091 0.3911
Echinococcus multilocularis nibrin 0.0023 0.001 0.0022
Loa Loa (eye worm) oxidoreductase 0.0016 0.0002 0.0087
Schistosoma mansoni hypothetical protein 0.0096 0.0087 0.0084
Toxoplasma gondii ATPase, AAA family protein 0.0023 0.001 0.0007
Mycobacterium tuberculosis P-hydroxybenzoyl-AMP ligase FadD22 0.0016 0.0002 0.0002
Echinococcus granulosus lamin dm0 0.0031 0.0018 0.0044
Mycobacterium tuberculosis Phenyloxazoline synthase MbtB (phenyloxazoline synthetase) 0.0016 0.0002 0.0002
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3679 0.3896 1
Plasmodium falciparum acyl-CoA synthetase 0.0042 0.0029 0.0027
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3679 0.3896 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.9423 1 1
Brugia malayi Niemann-Pick C1 protein precursor 0.0231 0.0231 0.0229
Mycobacterium ulcerans hypothetical protein 0.0056 0.0044 0.0042
Entamoeba histolytica hypothetical protein 0.0023 0.001 0.0019
Onchocerca volvulus 0.0059 0.0048 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0056 0.0044 0.0042
Loa Loa (eye worm) AMP-binding enzyme family protein 0.0016 0.0002 0.0087
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0018 0.0016
Onchocerca volvulus 0.0031 0.0018 0.3462
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0018 0.0769
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0041 0.0103
Loa Loa (eye worm) hypothetical protein 0.0016 0.0002 0.0087
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.0027 0.0027
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.9423 1 1
Brugia malayi CHE-14 protein 0.0099 0.0091 0.0088
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.0027 0.0027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0053 0.0041 0.0103
Trypanosoma brucei BRCA1 C Terminus (BRCT) domain containing protein, putative 0.0023 0.001 0.0007
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.9423 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.04
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0041 0.0039
Echinococcus granulosus Niemann Pick C1 protein 0.0331 0.0336 0.0861
Trypanosoma cruzi FHA domain containing protein, putative 0.0023 0.001 0.0007
Mycobacterium tuberculosis Possible fatty-acid-CoA ligase FadD10 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0002 0.0002
Schistosoma mansoni topbp1 0.0023 0.001 0.0007
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.001 0.0019
Echinococcus granulosus Niemann Pick C1 protein 0.0231 0.0231 0.059
Schistosoma mansoni hypothetical protein 0.0096 0.0087 0.0084
Echinococcus multilocularis lamin 0.0031 0.0018 0.0044
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0023 0.001 0.0019
Loa Loa (eye worm) hypothetical protein 0.0056 0.0044 0.1902
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.9423 1 1
Loa Loa (eye worm) hypothetical protein 0.0099 0.0091 0.3911
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0056 0.0044 0.0042
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.0027 0.0027
Loa Loa (eye worm) hypothetical protein 0.0173 0.0168 0.7289
Entamoeba histolytica hypothetical protein 0.0042 0.0029 0.0069
Leishmania major dihydroorotate dehydrogenase 0.9423 1 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.04
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.0029 0.0027
Giardia lamblia Replication factor C, subunit 1 0.0023 0.001 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0001 0.0026
Schistosoma mansoni dihydroorotate dehydrogenase 0.9423 1 1
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0056 0.0044 0.0042
Mycobacterium tuberculosis Probable medium chain fatty-acid-CoA ligase FadD14 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0002 0.0002
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3679 0.3896 1
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0235 0.0235 0.0232
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0053 0.0041 0.0039
Schistosoma mansoni hypothetical protein 0.0042 0.0029 0.0027
Mycobacterium ulcerans acyl-CoA synthetase 0.0056 0.0044 0.0042
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0056 0.0044 0.0042
Loa Loa (eye worm) hypothetical protein 0.0122 0.0114 0.4941
Schistosoma mansoni lamin 0.0031 0.0018 0.0016
Mycobacterium tuberculosis Probable peptide synthetase Nrp (peptide synthase) 0.0016 0.0002 0.0002
Brugia malayi DKFZp564C0469 protein 0.0023 0.001 0.0007
Leishmania major 4-coumarate:coa ligase-like protein 0.0056 0.0044 0.0042
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0042 0.0029 0.0029
Plasmodium vivax acyl-CoA synthetase, putative 0.0042 0.0029 0.0027
Entamoeba histolytica acyl-CoA synthetase, putative 0.0056 0.0044 0.0107
Loa Loa (eye worm) hypothetical protein 0.0056 0.0044 0.1902
Schistosoma mansoni hypothetical protein 0.0096 0.0087 0.0084
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.001 0.0007
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3679 0.3896 1
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.001 0.0019
Echinococcus multilocularis replication factor c subunit 1 0.0023 0.001 0.0022
Onchocerca volvulus 0.0031 0.0018 0.3462
Mycobacterium tuberculosis Bifunctional enzyme MbtA: salicyl-AMP ligase (SAL-AMP ligase) + salicyl-S-ArCP synthetase 0.0016 0.0002 0.0002
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.3679 0.3896 1
Schistosoma mansoni cellular tumor antigen P53 0.0059 0.0048 0.0045
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.0029 0.0072
Echinococcus granulosus tumor protein p63 0.0404 0.0414 0.1061
Brugia malayi AMP-binding enzyme family protein 0.0056 0.0044 0.0042
Echinococcus granulosus lamin 0.0031 0.0018 0.0044
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0023 0.001 0.0019
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.3679 0.3896 1
Echinococcus granulosus sterol regulatory element binding protein 0.0099 0.0091 0.023
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0056 0.0044 0.0044
Echinococcus multilocularis lamin dm0 0.0031 0.0018 0.0044
Echinococcus granulosus expressed conserved protein 0.0217 0.0216 0.0552
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.9423 1 1
Mycobacterium tuberculosis Peptide synthetase MbtE (peptide synthase) 0.0016 0.0002 0.0002
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3679 0.3896 1
Entamoeba histolytica hypothetical protein 0.0042 0.0029 0.0069
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0231 0.0231 0.0587
Brugia malayi hypothetical protein 0.0023 0.001 0.0007
Plasmodium vivax replication factor C subunit 1, putative 0.0023 0.001 0.0007
Loa Loa (eye worm) hypothetical protein 0.0042 0.0029 0.1252
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.3679 0.3896 0.3894
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0018 0.0769
Mycobacterium ulcerans acyl-CoA synthetase 0.0056 0.0044 0.0042
Loa Loa (eye worm) hypothetical protein 0.0023 0.001 0.04
Echinococcus granulosus Protein patched homolog 1 0.0099 0.0091 0.023
Brugia malayi Pax transcription activation domain interacting protein 0.0023 0.001 0.0007
Brugia malayi AMP-binding enzyme family protein 0.0056 0.0044 0.0042
Entamoeba histolytica Activator 1 140 kDa subunit, putative 0.0023 0.001 0.0019
Trichomonas vaginalis replication factor C large subunit, putative 0.0023 0.001 0.0019
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0039 0.0027 0.0027
Echinococcus multilocularis expressed conserved protein 0.0217 0.0216 0.0552
Brugia malayi Muscleblind-like protein 0.0173 0.0168 0.0166
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0053 0.0041 0.1769
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0053 0.0041 0.0103
Onchocerca volvulus 0.0023 0.001 0.1586
Loa Loa (eye worm) hypothetical protein 0.0042 0.0029 0.1252
Echinococcus multilocularis muscleblind protein 0.0173 0.0168 0.043
Schistosoma mansoni intermediate filament proteins 0.0031 0.0018 0.0016
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0042 0.0029 0.0027
Echinococcus granulosus nibrin 0.0023 0.001 0.0022
Onchocerca volvulus 0.0056 0.0044 0.921
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.9423 1 1
Brugia malayi ATP dependent DNA ligase C terminal region family protein 0.0023 0.001 0.0007
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.9423 1 1
Entamoeba histolytica hypothetical protein 0.0042 0.0029 0.0069
Trichomonas vaginalis conserved hypothetical protein 0.0099 0.0091 0.0226
Schistosoma mansoni topbp1 0.0023 0.001 0.0007
Mycobacterium ulcerans NAD-dependent DNA ligase LigA 0.0023 0.001 0.0007
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD8 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0016 0.0002 0.0002
Brugia malayi hypothetical protein 0.0042 0.0029 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.001 0.0019
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.3679 0.3896 1
Echinococcus multilocularis protein patched 0.0099 0.0091 0.023
Treponema pallidum DNA ligase (lig) 0.0023 0.001 0.5
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0042 0.0029 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.0048 0.2057
Echinococcus granulosus intermediate filament protein 0.0031 0.0018 0.0044
Echinococcus multilocularis protein dispatched 1 0.0113 0.0105 0.0268
Entamoeba histolytica acyl-CoA synthetase, putative 0.0056 0.0044 0.0107
Echinococcus granulosus muscleblind protein 0.0173 0.0168 0.043
Echinococcus multilocularis musashi 0.0031 0.0018 0.0044
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0053 0.0041 0.0039
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.0029 0.0072
Loa Loa (eye worm) hypothetical protein 0.0031 0.0018 0.0743
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0969 0.1015 0.2603
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0056 0.0044 0.0042
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0056 0.0044 0.0044
Mycobacterium leprae PROBABLE DNA LIGASE [NAD DEPENDENT] LIGA (POLYDEOXYRIBONUCLEOTIDE SYNTHASE [NAD+]) 0.0023 0.001 0.0007
Schistosoma mansoni patched 1 0.0099 0.0091 0.0088
Mycobacterium tuberculosis Fatty-acid-CoA synthetase FadD17 (fatty-acid-CoA synthase) (fatty-acid-CoA ligase) 0.0016 0.0002 0.0002
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0056 0.0044 0.0042
Trypanosoma cruzi hypothetical protein, conserved 0.0023 0.001 0.0007
Loa Loa (eye worm) hypothetical protein 0.0173 0.0168 0.7289
Loa Loa (eye worm) hypothetical protein 0.0042 0.0029 0.1252
Schistosoma mansoni lamin 0.0031 0.0018 0.0016
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.001 0.0019
Loa Loa (eye worm) hypothetical protein 0.0231 0.0231 1
Plasmodium falciparum dihydroorotate dehydrogenase 0.9423 1 1
Schistosoma mansoni DNA ligase IV 0.0023 0.001 0.0007
Echinococcus granulosus acetyl coenzyme A synthetase cytoplasmic 0.0016 0.0002 0.0004
Toxoplasma gondii poly(ADP-ribose) polymerase catalytic domain-containing protein 0.0023 0.001 0.0007
Echinococcus multilocularis sterol regulatory element binding protein 0.0099 0.0091 0.023
Entamoeba histolytica acyl-coA synthetase, putative 0.0056 0.0044 0.0107
Echinococcus multilocularis Niemann Pick C1 protein 0.0231 0.0231 0.059
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0056 0.0044 0.0042
Onchocerca volvulus 0.0021 0.0007 0.108
Loa Loa (eye worm) hypothetical protein 0.0056 0.0044 0.1902
Brugia malayi topoisomerase 0.0023 0.001 0.0007
Echinococcus multilocularis Niemann Pick C1 protein 0.0331 0.0336 0.0861
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.3679 0.3896 1
Loa Loa (eye worm) hypothetical protein 0.0031 0.0018 0.0769
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.9423 1 1
Leishmania major 4-coumarate:coa ligase-like protein 0.0056 0.0044 0.0042
Leishmania major 4-coumarate:coa ligase-like protein 0.0056 0.0044 0.0042
Trichomonas vaginalis RNA polymerase II ctd phosphatase, putative 0.0023 0.001 0.0019
Mycobacterium tuberculosis Peptide synthetase MbtF (peptide synthase) 0.0016 0.0002 0.0002
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.9423 1 1
Trichomonas vaginalis chromosome transmission fidelity factor, putative 0.0023 0.001 0.0019
Echinococcus granulosus replication factor c subunit 1 0.0023 0.001 0.0022
Loa Loa (eye worm) hypothetical protein 0.0016 0.0002 0.0087
Plasmodium falciparum replication factor C subunit 1, putative 0.0023 0.001 0.0007

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 9.285 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) 22.3872 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) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) 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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