Detailed information for compound 739640

Basic information

Technical information
  • TDR Targets ID: 739640
  • Name: N-(5-acetamido-2-methoxyphenyl)-2-[3-(4-metho xyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetam ide
  • MW: 504.558 | Formula: C26H24N4O5S
  • H donors: 2 H acceptors: 3 LogP: 3.4 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 2
  • SMILES: COc1ccc(cc1NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)OC)NC(=O)C
  • InChi: 1S/C26H24N4O5S/c1-16(31)27-17-8-13-23(35-3)22(14-17)28-24(32)15-36-26-29-21-7-5-4-6-20(21)25(33)30(26)18-9-11-19(34-2)12-10-18/h4-14H,15H2,1-3H3,(H,27,31)(H,28,32)
  • InChiKey: AGDMWUDGTHBIKH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(5-acetamido-2-methoxy-phenyl)-2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-acetamide
  • N-(5-acetamido-2-methoxyphenyl)-2-[[3-(4-methoxyphenyl)-4-oxo-2-quinazolinyl]thio]acetamide
  • N-(5-acetamido-2-methoxy-phenyl)-2-[[4-keto-3-(4-methoxyphenyl)quinazolin-2-yl]thio]acetamide
  • N-(5-acetamido-2-methoxy-phenyl)-2-[3-(4-methoxyphenyl)-4-oxo-quinazolin-2-yl]sulfanyl-ethanamide
  • CBKinase1_008760
  • ZINC01049819
  • ST5085405
  • CBKinase1_021160

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
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0091 0.0225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0021 0.0091 0.0389
Loa Loa (eye worm) glutathione reductase 0.004 0.0317 0.1345
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.3504 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.3504 1
Echinococcus multilocularis lamin dm0 0.0028 0.0168 0.0168
Brugia malayi RNA binding protein 0.0067 0.0636 0.268
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0294 0.072
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0151 0.1631 0.2259
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0203 0.0203
Echinococcus multilocularis muscleblind protein 0.0158 0.1714 0.1714
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.004 0.0317 0.0431
Echinococcus granulosus tumor protein p63 0.0358 0.4075 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0151 0.1631 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0091 0.0624
Schistosoma mansoni hypothetical protein 0.0043 0.0353 0.2556
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0203 0.1449
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0021 0.0091 0.0091
Echinococcus granulosus ecdysone induced protein 78C 0.0021 0.0091 0.0225
Onchocerca volvulus 0.0242 0.2702 1
Brugia malayi TAR-binding protein 0.0067 0.0636 0.268
Echinococcus multilocularis expressed conserved protein 0.0098 0.1001 0.1001
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0021 0.0091 0.0359
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0021 0.0091 0.0389
Schistosoma mansoni lamin 0.0028 0.0168 0.1192
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0151 0.1631 0.2259
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0091 0.0359
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0462 0.3365
Echinococcus multilocularis thioredoxin glutathione reductase 0.0041 0.0323 0.0323
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0021 0.0091 0.0359
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0091 0.0924 0.1275
Mycobacterium ulcerans urease subunit beta UreB 0.0296 0.3342 0.4638
Plasmodium vivax SET domain protein, putative 0.003 0.0203 0.6334
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0203 0.1449
Echinococcus multilocularis tumor protein p63 0.0358 0.4075 0.4075
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0091 0.0624
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0203 0.6334
Schistosoma mansoni intermediate filament proteins 0.0028 0.0168 0.1192
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0017 0.0073
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0021 0.0091 0.0225
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0021 0.0091 0.0225
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0021 0.0091 0.0389
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0021 0.0091 0.0359
Echinococcus multilocularis Niemann Pick C1 protein 0.0149 0.1605 0.1605
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0212 0.2355 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0091 0.0359
Loa Loa (eye worm) hypothetical protein 0.0158 0.1714 0.7278
Loa Loa (eye worm) hypothetical protein 0.0055 0.0491 0.2086
Echinococcus multilocularis protein patched 0.0045 0.0372 0.0372
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0021 0.0091 0.0225
Brugia malayi CHE-14 protein 0.0045 0.0372 0.1555
Schistosoma mansoni retinoic acid receptor RXR 0.0021 0.0091 0.0624
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0021 0.0091 0.0091
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.3504 1
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0636 0.465
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0203 0.0203
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0091 0.0924 0.1275
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0091 0.0359
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.3504 1
Mycobacterium tuberculosis Probable dehydrogenase 0.0091 0.0924 0.1275
Brugia malayi intermediate filament protein 0.0028 0.0168 0.0687
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0007 0.5
Onchocerca volvulus 0.0052 0.0462 0.1421
Mycobacterium tuberculosis Probable oxidoreductase 0.0102 0.1044 0.1442
Loa Loa (eye worm) hypothetical protein 0.0158 0.1714 0.7278
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0168 0.0715
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0636 0.465
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0389
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.003 0.0203 0.1449
Entamoeba histolytica Niemann-Pick C1 protein, putative 0.0104 0.1076 0.2438
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0014 0.0007 0.0017
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.031 0.3504 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.3504 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0021 0.0091 0.0624
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0021 0.0091 0.0225
Echinococcus multilocularis tar DNA binding protein 0.0067 0.0636 0.0636
Loa Loa (eye worm) hypothetical protein 0.0052 0.0462 0.1964
Leishmania major trypanothione reductase 0.004 0.0317 1
Loa Loa (eye worm) TAR-binding protein 0.0067 0.0636 0.2702
Loa Loa (eye worm) hypothetical protein 0.0028 0.0168 0.0715
Echinococcus multilocularis protein dispatched 1 0.0051 0.0447 0.0447
Loa Loa (eye worm) steroid hormone receptor 0.0021 0.0091 0.0389
Schistosoma mansoni coup transcription factor 0.0021 0.0091 0.0624
Trichomonas vaginalis set domain proteins, putative 0.0242 0.2702 0.7707
Brugia malayi nuclear receptor NHR-88 0.0021 0.0091 0.0359
Echinococcus granulosus FTZ F1 alpha 0.0021 0.0091 0.0225
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0636 0.465
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.3504 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0389
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0067 0.0636 0.2702
Mycobacterium ulcerans urease subunit alpha 0.0622 0.7198 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0021 0.0091 0.0389
Echinococcus multilocularis lamin 0.0028 0.0168 0.0168
Echinococcus multilocularis sterol regulatory element binding protein 0.0045 0.0372 0.0372
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0389
Mycobacterium tuberculosis Probable reductase 0.0091 0.0924 0.1275
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0021 0.0091 0.0389
Echinococcus granulosus intermediate filament protein 0.0028 0.0168 0.0413
Brugia malayi photoreceptor-specific nuclear receptor 0.0021 0.0091 0.0359
Brugia malayi Muscleblind-like protein 0.0158 0.1714 0.727
Plasmodium vivax glutathione reductase, putative 0.004 0.0317 1
Echinococcus granulosus expressed conserved protein 0.0098 0.1001 0.2457
Echinococcus granulosus lamin dm0 0.0028 0.0168 0.0413
Echinococcus granulosus lamin 0.0028 0.0168 0.0413
Schistosoma mansoni hypothetical protein 0.0038 0.0294 0.2117
Echinococcus granulosus muscleblind protein 0.0158 0.1714 0.4206
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0021 0.0091 0.0359
Echinococcus multilocularis muscleblind protein 1 0.0158 0.1714 0.1714
Brugia malayi Thioredoxin reductase 0.004 0.0317 0.1319
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0021 0.0091 0.0359
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0021 0.0091 0.0389
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0091 0.0091
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0021 0.0091 0.0225
Onchocerca volvulus 0.0028 0.0168 0.0295
Brugia malayi Pre-SET motif family protein 0.0212 0.2355 1
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0021 0.0091 0.0359
Plasmodium vivax thioredoxin reductase, putative 0.004 0.0317 1
Echinococcus granulosus Niemann Pick C1 protein 0.0104 0.1076 0.2641
Echinococcus granulosus thioredoxin glutathione reductase 0.0041 0.0323 0.0793
Brugia malayi RNA recognition motif domain containing protein 0.0067 0.0636 0.268
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0203 0.0499
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0636 0.465
Loa Loa (eye worm) RNA binding protein 0.0067 0.0636 0.2702
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0014 0.0007 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0021 0.0091 0.0091
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0014 0.0007 0.5
Brugia malayi ecdysteroid receptor 0.0021 0.0091 0.0359
Echinococcus multilocularis Niemann Pick C1 protein 0.0104 0.1076 0.1076
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0091 0.0359
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.3504 1
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0021 0.0091 0.0624
Echinococcus multilocularis thyroid hormone receptor alpha 0.0021 0.0091 0.0091
Brugia malayi Steroid receptor seven-up type 2 0.0021 0.0091 0.0359
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0021 0.0091 0.0359
Mycobacterium tuberculosis Urease alpha subunit UreC (urea amidohydrolase) 0.0622 0.7198 1
Schistosoma mansoni hypothetical protein 0.0043 0.0353 0.2556
Brugia malayi Niemann-Pick C1 protein precursor 0.0104 0.1076 0.4553
Plasmodium falciparum thioredoxin reductase 0.004 0.0317 1
Treponema pallidum fructose-bisphosphate aldolase 0.031 0.3504 1
Echinococcus granulosus tar DNA binding protein 0.0067 0.0636 0.1562
Echinococcus granulosus Protein patched homolog 1 0.0045 0.0372 0.0913
Brugia malayi cytoplasmic intermediate filament protein 0.0015 0.0017 0.0043
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.031 0.3504 1
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0045 0.0372 0.158
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0389
Loa Loa (eye worm) hypothetical protein 0.0045 0.0372 0.158
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0021 0.0091 0.0359
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0294 0.2117
Echinococcus granulosus sterol regulatory element binding protein 0.0045 0.0372 0.0913
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0102 0.1044 0.1442
Brugia malayi Pre-SET motif family protein 0.003 0.0203 0.0835
Toxoplasma gondii thioredoxin reductase 0.004 0.0317 1
Plasmodium falciparum glutathione reductase 0.004 0.0317 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.031 0.3504 1
Brugia malayi glutathione reductase 0.004 0.0317 0.1319
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0294 0.0294
Schistosoma mansoni hypothetical protein 0.0043 0.0353 0.2556
Trypanosoma cruzi trypanothione reductase, putative 0.004 0.0317 1
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0021 0.0091 0.0624
Loa Loa (eye worm) hypothetical protein 0.0027 0.0162 0.069
Schistosoma mansoni thyroid hormone receptor 0.0021 0.0091 0.0624
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0021 0.0091 0.0359
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0091 0.0924 0.1275
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0389
Onchocerca volvulus 0.0028 0.0168 0.0295
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0021 0.0091 0.0389
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0021 0.0091 0.0624
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0021 0.0091 0.0091
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0102 0.1044 0.1705
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0389
Trichomonas vaginalis conserved hypothetical protein 0.0045 0.0372 0.1044
Echinococcus multilocularis ecdysone induced protein 78C 0.0021 0.0091 0.0091
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0168 0.0687
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0389
Echinococcus multilocularis FTZ F1 alpha 0.0021 0.0091 0.0091
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0091 0.0924 0.1275
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0021 0.0091 0.0359
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0021 0.0091 0.0091
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0102 0.1044 0.1442
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0021 0.0091 0.0624
Mycobacterium tuberculosis Urease gamma subunit UreA (urea amidohydrolase) 0.0296 0.3342 0.4638
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0863
Loa Loa (eye worm) hypothetical protein 0.0021 0.0091 0.0389
Giardia lamblia Fructose-bisphosphate aldolase 0.031 0.3504 1
Loa Loa (eye worm) thioredoxin reductase 0.004 0.0317 0.1345
Mycobacterium tuberculosis Urease beta subunit UreB (urea amidohydrolase) 0.0296 0.3342 0.4638
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.019 0.0466
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0021 0.0091 0.0225
Schistosoma mansoni RAR-like nuclear receptor 0.0021 0.0091 0.0624
Mycobacterium ulcerans urease subunit gamma 0.0296 0.3342 0.4638
Loa Loa (eye worm) hypothetical protein 0.0104 0.1076 0.4569
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0168 0.0715
Echinococcus multilocularis musashi 0.0028 0.0168 0.0168
Brugia malayi steroid hormone receptor 0.0021 0.0091 0.0359
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0203 0.1449
Brugia malayi nuclear hormone receptor 0.0021 0.0091 0.0359
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0106 0.1095 0.8041
Trypanosoma brucei trypanothione reductase 0.004 0.0317 1
Brugia malayi hypothetical protein 0.0038 0.0294 0.122
Onchocerca volvulus 0.003 0.0203 0.0428
Schistosoma mansoni tar DNA-binding protein 0.0067 0.0636 0.465
Schistosoma mansoni patched 1 0.0045 0.0372 0.2697
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0021 0.0091 0.0624
Schistosoma mansoni hypothetical protein 0.0043 0.0353 0.2556
Schistosoma mansoni lamin 0.0028 0.0168 0.1192
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0014 0.0007 0.0007
Echinococcus granulosus Niemann Pick C1 protein 0.0149 0.1605 0.3939
Schistosoma mansoni nuclear hormone receptor 0.0021 0.0091 0.0624

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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