Detailed information for compound 1590663

Basic information

Technical information
  • TDR Targets ID: 1590663
  • Name: N-[3,5-dicyano-4-(4-methoxyphenyl)-2-(4-methy lphenyl)-6-oxopyridin-1-yl]-4-methylbenzenesu lfonamide
  • MW: 510.564 | Formula: C28H22N4O4S
  • H donors: 1 H acceptors: 5 LogP: 4.12 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1)c1c(C#N)c(=O)n(c(c1C#N)c1ccc(cc1)C)NS(=O)(=O)c1ccc(cc1)C
  • InChi: 1S/C28H22N4O4S/c1-18-4-8-21(9-5-18)27-24(16-29)26(20-10-12-22(36-3)13-11-20)25(17-30)28(33)32(27)31-37(34,35)23-14-6-19(2)7-15-23/h4-15,31H,1-3H3
  • InChiKey: PQGVEWHCSXFGNX-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-[3,5-dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-1-pyridyl]-4-methyl-benzenesulfonamide
  • N-[3,5-dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-1-pyridyl]-4-methylbenzenesulfonamide
  • N-[3,5-dicyano-2-keto-4-(4-methoxyphenyl)-6-(4-methylphenyl)-1-pyridyl]-4-methyl-benzenesulfonamide
  • N-[3,5-dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-pyridin-1-yl]-4-methyl-benzenesulfonamide
  • AIDS150458
  • N-(3,5-Dicyano-4-(4-methoxyphenyl)-2-(4-methylphenyl)-6-oxo-1(6H)-pyridinyl)-4-methylbenzenesulfonamide
  • NSC687592
  • NCI60_031559
  • AIDS-150458

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
Schistosoma mansoni dihydropteridine reductase 0.0013 0.0079 0.0079
Loa Loa (eye worm) hypothetical protein 0.0033 0.0797 0.5145
Brugia malayi histone deacetylase 11 0.0012 0.0035 0.0226
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1312 0.1312
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0053 0.1548 0.2441
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0184 0.6342 1
Echinococcus granulosus histone deacetylase 6 0.004 0.1045 0.1648
Plasmodium vivax 3-oxoacyl-[acyl-carrier-protein] reductase, putative 0.0013 0.0079 0.0067
Trypanosoma cruzi histone deacetylase, putative 0.004 0.1045 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1241 0.1957
Trypanosoma cruzi histone deacetylase, putative 0.004 0.1045 1
Trypanosoma cruzi oxidoreductase-like protein, putative 0.0013 0.0079 0.0438
Plasmodium vivax histone deacetylase, putative 0.004 0.1045 0.1524
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.1312 0.2068
Toxoplasma gondii histone deacetylase HDAC1 0.004 0.1045 0.1524
Mycobacterium leprae NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE) 0.0193 0.6665 1
Giardia lamblia Histone deacetylase 0.0012 0.0035 0.5
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0013 0.0079 0.0438
Loa Loa (eye worm) histone deacetylase 3 0.0012 0.0035 0.0226
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.1105 0.1105
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.1241 0.1957
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0053 0.1548 1
Echinococcus granulosus 3 oxoacyl acyl carrier protein reductase 0.0013 0.0079 0.0125
Trypanosoma brucei histone deacetylase, putative 0.004 0.1045 1
Onchocerca volvulus 0.0047 0.1312 1
Trypanosoma cruzi histone deacetylase, putative 0.004 0.1045 1
Chlamydia trachomatis enoyl-acyl-carrier protein reductase 0.0193 0.6665 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1241 0.1241
Wolbachia endosymbiont of Brugia malayi enoyl-ACP reductase 0.0193 0.6665 1
Plasmodium falciparum histone deacetylase, putative 0.004 0.1045 0.1524
Trypanosoma cruzi beta-ketoacyl-ACP reductase 0.0013 0.0079 0.0438
Plasmodium vivax enoyl-acyl carrier protein reductase 0.0193 0.6665 1
Schistosoma mansoni histone deacetylase 0.0012 0.0035 0.0035
Brugia malayi mbt repeat family protein 0.0047 0.1312 0.8471
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1241 0.1241
Echinococcus granulosus histone deacetylase 7 0.004 0.1045 0.1648
Loa Loa (eye worm) hypothetical protein 0.0028 0.0611 0.3946
Trypanosoma brucei histone deacetylase 4 0.004 0.1045 1
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0013 0.0079 0.0512
Loa Loa (eye worm) MBCTL1 0.0053 0.1548 1
Loa Loa (eye worm) histone deacetylase 0.004 0.1045 0.6751
Brugia malayi Histone deacetylase family protein 0.004 0.1045 0.6751
Loa Loa (eye worm) retinol dehydrogenase 12 0.0013 0.0079 0.0512
Schistosoma mansoni histone deacetylase hda2 0.0046 0.1266 0.1266
Echinococcus multilocularis histone deacetylase 1 0.0012 0.0035 0.0055
Echinococcus multilocularis histone acetyltransferase MYST2 0.0053 0.1548 0.2441
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0184 0.6342 1
Loa Loa (eye worm) hypothetical protein 0.0047 0.1312 0.8471
Trichomonas vaginalis hypothetical protein 0.0193 0.6665 1
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.1312 0.1312
Brugia malayi histone deacetylase 3 (HD3) 0.0012 0.0035 0.0226
Leishmania major histone deacetylase, putative 0.004 0.1045 1
Echinococcus granulosus histone deacetylase 1 0.0012 0.0035 0.0055
Loa Loa (eye worm) histone deacetylase 7A 0.004 0.1045 0.6751
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.1241 0.8017
Trypanosoma brucei pteridine reductase 1 0.0013 0.0079 0.0438
Echinococcus multilocularis histone deacetylase 0.004 0.1045 0.1648
Echinococcus granulosus histone acetyltransferase MYST2 0.0053 0.1548 0.2441
Echinococcus multilocularis histone deacetylase 6 0.004 0.1045 0.1648
Schistosoma mansoni histone deacetylase 0.0012 0.0035 0.0035
Echinococcus multilocularis histone deacetylase 3 0.0012 0.0035 0.0055
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0079 0.0512
Plasmodium falciparum 3-oxoacyl-[acyl-carrier-protein] reductase 0.0013 0.0079 0.0067
Brugia malayi mbt repeat family protein 0.0047 0.1312 0.8471
Trypanosoma brucei oxidoreductase-like protein 0.0013 0.0079 0.0438
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.1312 1
Trypanosoma brucei beta-ketoacyl-ACP reductase 0.0013 0.0079 0.0438
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0038 0.0979 0.632
Entamoeba histolytica 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0013 0.0079 1
Schistosoma mansoni histone deacetylase 4 5 0.004 0.1045 0.1045
Plasmodium falciparum histone deacetylase 2 0.004 0.1045 0.1524
Toxoplasma gondii enoyl-acyl carrier reductase ENR 0.0193 0.6665 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0053 0.1548 0.2441
Loa Loa (eye worm) hypothetical protein 0.0034 0.0832 0.5376
Brugia malayi histone deacetylase 1 (HD1) 0.0012 0.0035 0.0226
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.1312 0.1312
Loa Loa (eye worm) hypothetical protein 0.0013 0.0079 0.0512
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0038 0.0979 0.1543
Mycobacterium tuberculosis NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase) 0.0193 0.6665 1
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.1312 0.2068
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0013 0.0079 0.0438
Loa Loa (eye worm) hypothetical protein 0.0053 0.1548 1
Mycobacterium ulcerans enoyl-(acyl carrier protein) reductase 0.0193 0.6665 1
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.1312 0.8471
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0038 0.0979 0.1543
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1241 0.1957
Loa Loa (eye worm) oxidoreductase 0.0013 0.0079 0.0512
Echinococcus granulosus histone deacetylase 6 0.0046 0.1266 0.1997
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0013 0.0079 0.0512
Onchocerca volvulus 0.0013 0.0079 0.0347
Schistosoma mansoni histone deacetylase hda2 0.0012 0.0035 0.0035
Leishmania major dehydrogenase/oxidoreductase-like protein 0.0013 0.0079 0.0438
Leishmania major pteridine reductase 1 0.0013 0.0079 0.0438
Echinococcus granulosus histone deacetylase 3 0.0012 0.0035 0.0055
Echinococcus multilocularis histone deacetylase 6 0.004 0.1045 0.1648
Schistosoma mansoni histone deacetylase 1 2 3 0.0012 0.0035 0.0035
Schistosoma mansoni 3-oxoacyl-[ACP] reductase 0.0013 0.0079 0.0079
Echinococcus granulosus histone deacetylase 8 0.0012 0.0035 0.0055
Echinococcus multilocularis histone deacetylase 8 0.0012 0.0035 0.0055
Echinococcus multilocularis histone deacetylase 7 0.004 0.1045 0.1648
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0038 0.0979 0.632
Echinococcus multilocularis 3 oxoacyl acyl carrier protein reductase 0.0013 0.0079 0.0125
Onchocerca volvulus 0.0013 0.0079 0.0347
Schistosoma mansoni histone deacetylase 4 5 0.004 0.1045 0.1045
Schistosoma mansoni myelin transcription factor 1 myt1 0.0053 0.1548 0.1548
Trypanosoma brucei histone deacetylase 3 0.004 0.1045 1
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0888 0.1286
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0226
Echinococcus granulosus histone deacetylase 6 0.004 0.1045 0.1648
Toxoplasma gondii short chain dehydrogenase family protein, putative 0.0013 0.0079 0.0067
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0035 0.0888 0.1286
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.1312 0.2068
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.1241 0.8017
Brugia malayi Histone deacetylase family protein 0.004 0.1045 0.6751
Loa Loa (eye worm) histone deacetylase 11 0.0012 0.0035 0.0226
Loa Loa (eye worm) hypothetical protein 0.0012 0.0035 0.0226
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.1241 0.1241
Plasmodium falciparum enoyl-acyl carrier reductase 0.0193 0.6665 1
Loa Loa (eye worm) histone deacetylase 1 0.0012 0.0035 0.0226
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.1105 0.1105
Leishmania major histone deacetylase, putative 0.004 0.1045 1
Plasmodium vivax histone deacetylase 2, putative 0.004 0.1045 0.1524
Echinococcus multilocularis histone deacetylase 6 0.0046 0.1266 0.1997
Toxoplasma gondii 2,4-dienoyl CoA reductase 2, peroxisomal family protein 0.0013 0.0079 0.0067
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.1312 0.2068
Toxoplasma gondii 3-ketoacyl-(acyl-carrier-protein) reductase 0.0013 0.0079 0.0067
Leishmania major oxidoreductase-like protein 0.0013 0.0079 0.0438
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.1241 0.1957
Echinococcus granulosus histone deacetylase 0.004 0.1045 0.1648
Brugia malayi Histone deacetylase 1 0.0012 0.0035 0.0226
Leishmania major 3-oxoacyl-ACP reductase, putative 0.0013 0.0079 0.0438

Activities

Activity type Activity value Assay description Source Reference
GI50 (functional) -4.629 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.49 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.296 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.179 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.127 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory) ChEMBL. No reference
GI50 (functional) -4.125 PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the MDA-N Breast cell line. (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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