Detailed information for compound 561146

Basic information

Technical information
  • TDR Targets ID: 561146
  • Name: N-(m-tolyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7 -tetrahydrobenzothiophene-3-carboxamide
  • MW: 435.496 | Formula: C23H21N3O4S
  • H donors: 2 H acceptors: 4 LogP: 5.58 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: Cc1cccc(c1)NC(=O)c1c(NC(=O)c2ccc(cc2)[N+](=O)[O-])sc2c1CCCC2
  • InChi: 1S/C23H21N3O4S/c1-14-5-4-6-16(13-14)24-22(28)20-18-7-2-3-8-19(18)31-23(20)25-21(27)15-9-11-17(12-10-15)26(29)30/h4-6,9-13H,2-3,7-8H2,1H3,(H,24,28)(H,25,27)
  • InChiKey: RNYPEGPRVWWSRY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(m-tolyl)-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • N-(3-methylphenyl)-2-[(4-nitrophenyl)carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • N-(3-methylphenyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
  • N-(3-methylphenyl)-2-[(4-nitrobenzoyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • N-(3-methylphenyl)-2-[[(4-nitrophenyl)-oxomethyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide
  • 418793-53-0
  • NSC732802
  • CBMicro_025328
  • Oprea1_341602
  • STK071193
  • BIM-0025377.P001

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
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0137 0.0927
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0137 0.0927
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2514 0.9974
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1774 0.7038
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1429 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0137 0.0927
Brugia malayi TAR-binding protein 0.0062 0.2514 0.2333
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0241 0.0326
Onchocerca volvulus 0.0037 0.1429 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0137 0.0927
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0137 0.0927
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1774 0.1571
Trichomonas vaginalis esterase, putative 0.0037 0.1429 1
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0137 0.0927
Brugia malayi CXXC zinc finger family protein 0.0029 0.111 0.0895
Brugia malayi RNA binding protein 0.0062 0.2514 0.2333
Onchocerca volvulus 0.0037 0.1429 1
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1429 1
Brugia malayi beta-lactamase family protein 0.0037 0.1429 0.1222
Schistosoma mansoni cpg binding protein 0.0031 0.1182 0.4688
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1429 1
Echinococcus granulosus cpg binding protein 0.0031 0.1182 0.433
Leishmania major hypothetical protein, conserved 0.0037 0.1429 0.5
Brugia malayi RNA recognition motif domain containing protein 0.0062 0.2514 0.2333
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.2236 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.1429 0.5383
Schistosoma mansoni cpg binding protein 0.0029 0.111 0.4403
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.111 0.0891
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2514 0.9974
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0137 0.0927
Mycobacterium ulcerans beta-lactamase 0.0037 0.1429 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.1429 0.1218
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0137 0.0927
Schistosoma mansoni cpg binding protein 0.0031 0.1182 0.4688
Loa Loa (eye worm) hypothetical protein 0.0037 0.1429 0.1218
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.0164 0.0651
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0137 0.0927
Plasmodium vivax hypothetical protein, conserved 0.0037 0.1429 0.5
Loa Loa (eye worm) TAR-binding protein 0.0062 0.2514 0.2329
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1774 0.7038
Trypanosoma brucei hypothetical protein, conserved 0.0037 0.1429 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.1429 0.1218
Mycobacterium leprae Probable lipase LipE 0.0037 0.1429 0.5
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.1429 0.5383
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0137 0.0927
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.1429 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0037 0.1429 1
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2514 0.9974
Onchocerca volvulus 0.0037 0.1429 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0062 0.2514 0.2329
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0236 1 1
Brugia malayi beta-lactamase family protein 0.0037 0.1429 0.1222
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0137 0.0927
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2514 0.9974
Entamoeba histolytica hypothetical protein 0.0003 0 0.5
Mycobacterium ulcerans hypothetical protein 0.0037 0.1429 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.1429 0.1218
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0137 0.0927
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0004 0.0032 0.0127
Loa Loa (eye worm) RNA binding protein 0.0062 0.2514 0.2329
Schistosoma mansoni tar DNA-binding protein 0.0062 0.2514 0.9974
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0137 0.0927
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1429 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.1429 0.1218
Loa Loa (eye worm) hypothetical protein 0.0037 0.1429 0.1218
Brugia malayi beta-lactamase 0.0037 0.1429 0.1222
Plasmodium falciparum zinc finger protein, putative 0.0003 0 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1774 0.6851
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.1429 0.1222
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1774 0.7038
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0137 0.0927
Mycobacterium leprae conserved hypothetical protein 0.0037 0.1429 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0137 0.0927
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.1429 0.5
Echinococcus granulosus tar DNA binding protein 0.0062 0.2514 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.1429 0.1218
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1774 0.6851
Trichomonas vaginalis penicillin-binding protein, putative 0.0037 0.1429 1
Echinococcus multilocularis tar DNA binding protein 0.0062 0.2514 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0137 0.0927
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.1429 0.5
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1429 0.567
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0235 0.9931 1
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0241 0.0326
Loa Loa (eye worm) beta-lactamase 0.0037 0.1429 0.1218
Trichomonas vaginalis helicase, putative 0.0007 0.0137 0.0927
Mycobacterium ulcerans lipase LipD 0.0037 0.1429 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0137 0.0927
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.2521 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1774 0.1575
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.1429 0.567
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1774 0.6851
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1774 0.6851
Echinococcus multilocularis cpg binding protein 0.0031 0.1182 0.433

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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