Detailed information for compound 732725

Basic information

Technical information
  • TDR Targets ID: 732725
  • Name: N-[4-[[4-[3-(ethylsulfamoyl)-4-methylphenyl]p hthalazin-1-yl]amino]phenyl]acetamide
  • MW: 475.563 | Formula: C25H25N5O3S
  • H donors: 3 H acceptors: 5 LogP: 3.51 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCNS(=O)(=O)c1cc(ccc1C)c1nnc(c2c1cccc2)Nc1ccc(cc1)NC(=O)C
  • InChi: 1S/C25H25N5O3S/c1-4-26-34(32,33)23-15-18(10-9-16(23)2)24-21-7-5-6-8-22(21)25(30-29-24)28-20-13-11-19(12-14-20)27-17(3)31/h5-15,26H,4H2,1-3H3,(H,27,31)(H,28,30)
  • InChiKey: WLLMUEMLSOCOFC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[4-[[4-[3-(ethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]phenyl]acetamide
  • N-[4-[[4-[3-(ethylsulfamoyl)-4-methylphenyl]-1-phthalazinyl]amino]phenyl]acetamide
  • N-[4-[[4-[3-(ethylsulfamoyl)-4-methyl-phenyl]phthalazin-1-yl]amino]phenyl]ethanamide
  • STK034969
  • ZINC01116576

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
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0249 0.5
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0117 0.4613 1
Schistosoma mansoni gabp alpha 0.007 0.2603 0.2957
Schistosoma mansoni survival motor neuron protein 0.0049 0.1688 0.1918
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0874 0.0993
Brugia malayi Ets-domain containing protein 0.007 0.2603 0.2603
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0249 0.5
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0049 0.1688 0.1688
Brugia malayi Thioredoxin reductase 0.0046 0.1552 0.1552
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0874 0.0874
Schistosoma mansoni hypothetical protein 0.0049 0.1688 0.1918
Plasmodium falciparum thioredoxin reductase 0.0046 0.1552 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0119 0.4718 0.4718
Echinococcus granulosus survival motor neuron protein 1 0.0241 1 1
Loa Loa (eye worm) glutathione reductase 0.0046 0.1552 0.1552
Mycobacterium tuberculosis Probable dehydrogenase 0.0105 0.4106 0.8837
Loa Loa (eye worm) hypothetical protein 0.003 0.0874 0.0874
Treponema pallidum NADH oxidase 0.0016 0.0249 0.5
Brugia malayi glutathione reductase 0.0046 0.1552 0.1552
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0825 0.0825
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0249 0.5
Brugia malayi Ets-domain containing protein 0.007 0.2603 0.2603
Brugia malayi Pre-SET motif family protein 0.0212 0.8729 0.8729
Onchocerca volvulus 0.0241 0.9995 1
Toxoplasma gondii thioredoxin reductase 0.0046 0.1552 1
Leishmania major trypanothione reductase 0.0046 0.1552 1
Echinococcus granulosus GA binding protein alpha chain 0.007 0.2603 0.2603
Loa Loa (eye worm) fli-1 protein 0.0214 0.8801 0.8801
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0874 0.4794
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0249 0.5
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0874 0.0993
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0105 0.4106 0.8837
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0105 0.4106 0.8837
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0066 0.0066
Trichomonas vaginalis set domain proteins, putative 0.0241 0.9995 1
Loa Loa (eye worm) transcription factor SMAD2 0.0119 0.4718 0.4718
Loa Loa (eye worm) hypothetical protein 0.006 0.2161 0.2161
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1552 0.1552
Echinococcus multilocularis GA binding protein alpha chain 0.007 0.2603 0.2603
Schistosoma mansoni thyroid hormone receptor 0.0132 0.5276 0.5994
Plasmodium vivax glutathione reductase, putative 0.0046 0.1552 1
Mycobacterium tuberculosis Probable reductase 0.0105 0.4106 0.8837
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0066 0.0066
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0874 0.0993
Plasmodium falciparum glutathione reductase 0.0046 0.1552 1
Brugia malayi Pre-SET motif family protein 0.003 0.0874 0.0874
Schistosoma mansoni hypothetical protein 0.0122 0.4851 0.5512
Schistosoma mansoni thyroid hormone receptor 0.0132 0.5276 0.5994
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1552 0.1552
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0117 0.4613 1
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0249 0.0249
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0249 0.5
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.8729 0.8729
Echinococcus multilocularis survival motor neuron protein 1 0.0241 1 1
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0249 0.0283
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0249 0.0249
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0874 0.0874
Onchocerca volvulus 0.0049 0.1688 0.0893
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0874 0.0874
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0105 0.4106 0.8837
Echinococcus multilocularis thyroid hormone receptor alpha 0.0132 0.5276 0.5276
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0117 0.4613 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0249 0.0249
Brugia malayi Fli-1 protein 0.0214 0.8801 0.8801
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0105 0.4106 0.8837
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1552 0.2985
Mycobacterium tuberculosis Probable oxidoreductase 0.0117 0.4613 1
Trypanosoma brucei trypanothione reductase 0.0046 0.1552 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1552 0.1552
Schistosoma mansoni ets-related 0.0214 0.8801 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0249 0.5
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1552 1
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0122 0.4851 0.4851
Loa Loa (eye worm) hypothetical protein 0.0241 1 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0874 0.0993
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0122 0.4851 0.4851
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1552 1
Plasmodium vivax SET domain protein, putative 0.003 0.0874 0.4794
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0249 0.5
Loa Loa (eye worm) D-ets-4 DNA binding domain-containing protein 0.007 0.2603 0.2603
Brugia malayi MH2 domain containing protein 0.0119 0.4718 0.4718

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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