Detailed information for compound 1317859

Basic information

Technical information
  • TDR Targets ID: 1317859
  • Name: N-(3-methoxypropyl)-2-[4-oxo-3-[2-(4-sulfamoy lphenyl)ethyl]quinazolin-2-yl]sulfanylacetami de
  • MW: 490.596 | Formula: C22H26N4O5S2
  • H donors: 2 H acceptors: 4 LogP: 1.89 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)CSc1nc2ccccc2c(=O)n1CCc1ccc(cc1)S(=O)(=O)N
  • InChi: 1S/C22H26N4O5S2/c1-31-14-4-12-24-20(27)15-32-22-25-19-6-3-2-5-18(19)21(28)26(22)13-11-16-7-9-17(10-8-16)33(23,29)30/h2-3,5-10H,4,11-15H2,1H3,(H,24,27)(H2,23,29,30)
  • InChiKey: QHGNYIOPTJVYFA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(3-methoxypropyl)-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanyl-acetamide
  • N-(3-methoxypropyl)-2-[[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]-2-quinazolinyl]thio]acetamide
  • 2-[[4-keto-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]thio]-N-(3-methoxypropyl)acetamide
  • N-(3-methoxypropyl)-2-[4-oxo-3-[2-(4-sulfamoylphenyl)ethyl]quinazolin-2-yl]sulfanyl-ethanamide

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
Brugia malayi MH1 domain containing protein 0.0125 0.0451 0.0451
Mycobacterium ulcerans hypothetical protein 0.0159 0.0637 1
Brugia malayi mothers against decapentaplegic homolog 3 0.0056 0.0065 0.0065
Schistosoma mansoni tar DNA-binding protein 0.0508 0.2581 0.5674
Brugia malayi latrophilin 2 splice variant baaae 0.0861 0.4549 0.4549
Echinococcus granulosus smad 0.0125 0.0451 0.1747
Echinococcus granulosus GPCR family 2 0.0398 0.1972 0.7643
Loa Loa (eye worm) RNA binding protein 0.0508 0.2581 0.2581
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0079 0.0194 0.5
Entamoeba histolytica hypothetical protein 0.0225 0.1007 0.469
Brugia malayi MH2 domain containing protein 0.0056 0.0065 0.0065
Loa Loa (eye worm) transcription factor SMAD2 0.1839 1 1
Brugia malayi MH1 domain containing protein 0.0069 0.0139 0.0139
Brugia malayi isocitrate dehydrogenase 0.008 0.0196 0.0196
Toxoplasma gondii isocitrate dehydrogenase 0.008 0.0196 0.0018
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0225 0.1007 0.3901
Loa Loa (eye worm) hypothetical protein 0.0069 0.0139 0.0139
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.1259 0.6768 0.6768
Echinococcus multilocularis mothers against decapentaplegic 6 0.0056 0.0065 0.0251
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0508 0.2581 0.2581
Brugia malayi MH2 domain containing protein 0.0125 0.0451 0.0451
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0106 0.0344 0.1335
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.008 0.0196 0.0759
Loa Loa (eye worm) MH2 domain-containing protein 0.1839 1 1
Mycobacterium tuberculosis Probable aminotransferase 0.0159 0.0637 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.008 0.0196 0.0759
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.008 0.0196 0.0759
Echinococcus multilocularis peptidase Clp (S14 family) 0.0052 0.0042 0.0164
Loa Loa (eye worm) TAR-binding protein 0.0508 0.2581 0.2581
Brugia malayi hypothetical protein 0.0225 0.1007 0.1007
Onchocerca volvulus 0.0465 0.2342 1
Schistosoma mansoni hypothetical protein 0.0398 0.1972 0.4336
Brugia malayi RNA recognition motif domain containing protein 0.0508 0.2581 0.2581
Echinococcus multilocularis isocitrate dehydrogenase 0.008 0.0196 0.0759
Leishmania major hypothetical protein, conserved 0.0237 0.1072 1
Trypanosoma brucei PAB1-binding protein , putative 0.0237 0.1072 1
Brugia malayi hypothetical protein 0.0153 0.0604 0.0604
Loa Loa (eye worm) hypothetical protein 0.0056 0.0065 0.0065
Schistosoma mansoni hypothetical protein 0.0398 0.1972 0.4336
Brugia malayi Smad1 0.0125 0.0451 0.0451
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0079 0.0194 0.0753
Toxoplasma gondii isocitrate dehydrogenase 0.008 0.0196 0.0018
Echinococcus multilocularis Smad4 0.0125 0.0451 0.1747
Echinococcus granulosus tar DNA binding protein 0.0508 0.2581 1
Brugia malayi TAR-binding protein 0.0508 0.2581 0.2581
Brugia malayi RNA binding protein 0.0508 0.2581 0.2581
Echinococcus granulosus Smad4 0.0125 0.0451 0.1747
Schistosoma mansoni transcription factor LCR-F1 0.0225 0.1007 0.2213
Echinococcus granulosus peptidase Clp S14 family 0.0052 0.0042 0.0164
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0079 0.0194 0.0753
Schistosoma mansoni smad1 5 8 and 0.0125 0.0451 0.0991
Schistosoma mansoni smad1 5 8 and 0.0125 0.0451 0.0991
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0194 0.5
Schistosoma mansoni hypothetical protein 0.0225 0.1007 0.2213
Schistosoma mansoni hypothetical protein 0.0398 0.1972 0.4336
Schistosoma mansoni smad 0.0125 0.0451 0.0991
Loa Loa (eye worm) isocitrate dehydrogenase 0.008 0.0196 0.0196
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0398 0.1972 0.7643
Loa Loa (eye worm) hypothetical protein 0.0079 0.0194 0.0194
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1259 0.6768 0.6768
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0079 0.0194 0.5
Brugia malayi MH1 domain containing protein 0.0069 0.0139 0.0139
Brugia malayi hypothetical protein 0.0237 0.1072 0.1072
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0225 0.1007 0.3901
Echinococcus granulosus TGF beta signal transducer SmadC 0.0125 0.0451 0.1747
Echinococcus multilocularis tar DNA binding protein 0.0508 0.2581 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0056 0.0065 0.0065
Brugia malayi Probable ClpP-like protease 0.0079 0.0194 0.0194
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0106 0.0344 0.1335
Trypanosoma cruzi PAB1-binding protein , putative 0.0237 0.1072 1
Schistosoma mansoni peptidase Clp (S14 family) 0.0079 0.0194 0.0427
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.008 0.0196 0.0759
Trypanosoma cruzi PAB1-binding protein , putative 0.0237 0.1072 1
Loa Loa (eye worm) nuclear factor I 0.0069 0.0139 0.0139
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0398 0.1972 0.1972
Loa Loa (eye worm) hypothetical protein 0.1259 0.6768 0.6768
Brugia malayi MH1 domain containing protein 0.0125 0.0451 0.0451
Echinococcus granulosus mothers against decapentaplegic 5 0.0125 0.0451 0.1747
Giardia lamblia DNA repair protein RAD52 0.0363 0.1775 0.5
Schistosoma mansoni hypothetical protein 0.0861 0.4549 1
Schistosoma mansoni smad 0.0056 0.0065 0.0142
Plasmodium vivax ataxin-2 like protein, putative 0.0237 0.1072 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0398 0.1972 0.7643
Schistosoma mansoni hypothetical protein 0.0398 0.1972 0.4336
Schistosoma mansoni Smad4 0.0056 0.0065 0.0142
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0125 0.0451 0.1747
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.008 0.0196 0.0759
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0159 0.0637 0.5
Brugia malayi Latrophilin receptor protein 2 0.0398 0.1972 0.1972
Brugia malayi MH2 domain containing protein 0.0125 0.0451 0.0451
Schistosoma mansoni smad1 5 8 and 0.0125 0.0451 0.0991
Entamoeba histolytica hypothetical protein 0.0225 0.1007 0.469
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.008 0.0196 0.2585
Schistosoma mansoni tar DNA-binding protein 0.0508 0.2581 0.5674
Schistosoma mansoni tar DNA-binding protein 0.0508 0.2581 0.5674
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0079 0.0194 0.2559
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0398 0.1972 0.7643
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0159 0.0637 1
Entamoeba histolytica hypothetical protein 0.0225 0.1007 0.469
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.008 0.0196 0.0018
Echinococcus multilocularis mothers against decapentaplegic 2 0.0056 0.0065 0.0251
Schistosoma mansoni tar DNA-binding protein 0.0508 0.2581 0.5674
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0398 0.1972 0.7643
Loa Loa (eye worm) MH1 domain-containing protein 0.0125 0.0451 0.0451
Plasmodium falciparum ataxin-2 like protein, putative 0.0237 0.1072 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0237 0.1072 1
Loa Loa (eye worm) hypothetical protein 0.0861 0.4549 0.4549
Brugia malayi Calcitonin receptor-like protein seb-1 0.1259 0.6768 0.6768
Loa Loa (eye worm) Smad1 0.0125 0.0451 0.0451
Echinococcus multilocularis mothers against decapentaplegic 5 0.0125 0.0451 0.1747
Loa Loa (eye worm) latrophilin receptor protein 2 0.0398 0.1972 0.1972
Echinococcus multilocularis smad 0.0125 0.0451 0.1747
Schistosoma mansoni Smad4 0.0056 0.0065 0.0142
Brugia malayi hypothetical protein 0.0465 0.2342 0.2342
Echinococcus multilocularis GPCR, family 2 0.0398 0.1972 0.7643
Loa Loa (eye worm) MH2 domain-containing protein 0.0125 0.0451 0.0451
Toxoplasma gondii LsmAD domain-containing protein 0.0237 0.1072 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0079 0.0194 0.5
Schistosoma mansoni tar DNA-binding protein 0.0508 0.2581 0.5674
Schistosoma mansoni hypothetical protein 0.0106 0.0344 0.0757
Schistosoma mansoni Smad4 0.0125 0.0451 0.0991
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0159 0.0637 1
Loa Loa (eye worm) hypothetical protein 0.0398 0.1972 0.1972
Echinococcus granulosus mothers against decapentaplegic 2 0.0056 0.0065 0.0251
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.008 0.0196 0.0431
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0125 0.0451 0.0991
Loa Loa (eye worm) hypothetical protein 0.0237 0.1072 0.1072
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0363 0.1775 1
Echinococcus granulosus mothers against decapentaplegic 6 0.0056 0.0065 0.0251
Loa Loa (eye worm) MH1 domain-containing protein 0.0056 0.0065 0.0065
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.008 0.0196 0.0018
Entamoeba histolytica hypothetical protein 0.0225 0.1007 0.469
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0159 0.0637 1
Brugia malayi Isocitrate dehydrogenase 0.008 0.0196 0.0196
Loa Loa (eye worm) hypothetical protein 0.0465 0.2342 0.2342

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.0037 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) 11.6891 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

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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