Detailed information for compound 799144

Basic information

Technical information
  • TDR Targets ID: 799144
  • Name: 6-bromo-N-(3-ethoxypropyl)-4-hydroxy-3-(3-met hoxyphenyl)-2-oxo-1H-quinazoline-4-carboxamid e
  • MW: 478.336 | Formula: C21H24BrN3O5
  • H donors: 3 H acceptors: 3 LogP: 2.26 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOCCCNC(=O)C1(O)c2cc(Br)ccc2NC(=O)N1c1cccc(c1)OC
  • InChi: 1S/C21H24BrN3O5/c1-3-30-11-5-10-23-19(26)21(28)17-12-14(22)8-9-18(17)24-20(27)25(21)15-6-4-7-16(13-15)29-2/h4,6-9,12-13,28H,3,5,10-11H2,1-2H3,(H,23,26)(H,24,27)
  • InChiKey: MKZUWZLPCYNKLS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-bromo-N-(3-ethoxypropyl)-4-hydroxy-2-keto-3-(3-methoxyphenyl)-1H-quinazoline-4-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens karyopherin (importin) beta 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB3 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0231 0.2804 0.5331
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0104 0.0197
Schistosoma mansoni importin beta-1 0.0035 0.0239 0.0239
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0104 0.0197
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0182 0.035
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0048 0.0418 0.0795
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1672 0.318
Plasmodium falciparum acyl-CoA synthetase 0.0018 0.0023 0.0044
Entamoeba histolytica hypothetical protein 0.0071 0.0709 0.565
Plasmodium vivax importin-beta 2, putative 0.0035 0.0239 0.0461
Entamoeba histolytica acyl-coA synthetase, putative 0.0024 0.0104 0.0828
Loa Loa (eye worm) GMP reductase 0.0182 0.2174 0.4134
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0153 0.122
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0104 0.0828
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.001 0.0018
Loa Loa (eye worm) hypothetical protein 0.0024 0.0104 0.0197
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0043
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0418 0.526 1
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0112 0.1254 0.2385
Entamoeba histolytica hypothetical protein 0.0071 0.0709 0.565
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0112 0.1254 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0104 0.0197
Entamoeba histolytica hypothetical protein 0.0071 0.0709 0.565
Leishmania major silent information regulator 2, putative 0.0112 0.1254 0.2385
Entamoeba histolytica hypothetical protein 0.0071 0.0709 0.565
Plasmodium falciparum inosine-5'-monophosphate dehydrogenase 0.0413 0.5195 1
Echinococcus multilocularis inosine 5' monophosphate dehydrogenase 2 0.0418 0.526 0.526
Echinococcus multilocularis NAD dependent deacetylase sirtuin 3 0.0112 0.1254 0.1254
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0709 0.0709
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0709 0.0709
Echinococcus granulosus geminin 0.0164 0.1928 0.1928
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.001 0.0018
Leishmania major inosine-5-monophosphate dehydrogenase 0.0418 0.526 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1672 0.318
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0413 0.5195 0.9877
Brugia malayi transcriptional regulator, Sir2 family protein 0.0112 0.1254 0.2385
Schistosoma mansoni microtubule-associated protein tau 0.078 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0043
Echinococcus multilocularis chromatin regulatory protein sir2 0.0112 0.1254 0.1254
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0239 0.0455
Trypanosoma brucei GMP reductase 0.0418 0.526 1
Brugia malayi hypothetical protein 0.003 0.0182 0.0346
Loa Loa (eye worm) IMP dehydrogenase 1 0.0418 0.526 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0043
Toxoplasma gondii IMP dehydrogenas 0.0418 0.526 1
Echinococcus granulosus snurportin 1 0.0372 0.4655 0.4655
Leishmania major hypothetical protein, conserved 0.003 0.0182 0.0346
Schistosoma mansoni chromatin regulatory protein sir2 0.0112 0.1254 0.1254
Echinococcus multilocularis snurportin 1 0.0372 0.4655 0.4655
Loa Loa (eye worm) hypothetical protein 0.0024 0.0104 0.0197
Entamoeba histolytica acyl-CoA synthetase, putative 0.0024 0.0104 0.0828
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0104 0.0197
Echinococcus multilocularis microtubule associated protein 2 0.078 1 1
Mycobacterium ulcerans inosine 5'-monophosphate dehydrogenase 0.0418 0.526 1
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0112 0.1254 1
Leishmania major guanosine monophosphate reductase 0.0418 0.526 1
Mycobacterium tuberculosis Probable inosine-5'-monophosphate dehydrogenase GuaB2 (imp dehydrogenase) (inosinic acid dehydrogenase) (inosinate dehydrogenase 0.0418 0.526 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0018 0.0023 0.0043
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0104 0.0197
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0153 0.122
Trypanosoma cruzi GMP reductase 0.0418 0.526 1
Brugia malayi RNA, U transporter 1 0.0099 0.1081 0.2055
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0153 0.122
Echinococcus granulosus chromatin regulatory protein sir2 0.0112 0.1254 0.1254
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0182 0.2174 0.4134
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0418 0.526 1
Schistosoma mansoni hypothetical protein 0.0033 0.0217 0.0217
Onchocerca volvulus Putative GMP reductase 0.0182 0.2174 1
Plasmodium vivax inosine-5'-monophosphate dehydrogenase, putative 0.0413 0.5195 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0217 0.0413
Trypanosoma brucei inosine-5'-monophosphate dehydrogenase 0.0418 0.526 1
Brugia malayi MH2 domain containing protein 0.0144 0.1672 0.318
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0112 0.1254 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0239 0.0455
Mycobacterium ulcerans inosine 5-monophosphate dehydrogenase 0.0187 0.2239 0.4256
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0104 0.0197
Giardia lamblia Hypothetical protein 0.0112 0.1254 1
Loa Loa (eye worm) hypothetical protein 0.0048 0.0418 0.0795
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.4655 0.8849
Brugia malayi inosine-5'-monophosphate dehydrogenase family protein 0.0418 0.526 1
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0182 0.0346
Loa Loa (eye worm) hypothetical protein 0.0024 0.0104 0.0197
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0182 0.035
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0104 0.0197
Mycobacterium leprae PROBABLE INOSINE-5'-MONOPHOSPHATE DEHYDROGENASE GUAB1(IMP DEHYDROGENASE) (IMPDH) (IMPD) 0.0187 0.2239 0.4141
Loa Loa (eye worm) transcriptional regulator 0.0112 0.1254 0.2385
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0239 0.0239
Wolbachia endosymbiont of Brugia malayi IMP dehydrogenase 0.0418 0.526 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0182 0.0346
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0217 0.0413
Mycobacterium ulcerans hypothetical protein 0.0024 0.0104 0.0197
Plasmodium falciparum importin beta, putative 0.0035 0.0239 0.0461
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0182 0.0346
Echinococcus multilocularis geminin 0.0164 0.1928 0.1928
Brugia malayi hypothetical protein 0.002 0.004 0.0077
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB2 (IMP dehydrogenase) (IMPDH) (IMPD) 0.0418 0.526 1
Entamoeba histolytica hypothetical protein 0.0028 0.0153 0.122
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0043
Trypanosoma cruzi inosine-5'-monophosphate dehydrogenase, putative 0.0418 0.526 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0104 0.0197
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0104 0.0197
Schistosoma mansoni chromatin regulatory protein sir2 0.0112 0.1254 0.1254
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0239 0.0455
Schistosoma mansoni hypothetical protein 0.0372 0.4655 0.4655
Echinococcus granulosus importin subunit beta 1 0.0035 0.0239 0.0239
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0104 0.0197
Schistosoma mansoni hypothetical protein 0.0164 0.1928 0.1928
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0104 0.0197
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.001 0.0018
Brugia malayi Calcitonin receptor-like protein seb-1 0.0048 0.0418 0.0795
Schistosoma mansoni hypothetical protein 0.0164 0.1928 0.1928
Loa Loa (eye worm) hypothetical protein 0.0035 0.0239 0.0455
Leishmania major importin beta-1 subunit, putative 0.0028 0.0153 0.0291
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0182 0.0346
Trypanosoma brucei Silent information regulator 2 related protein 1 0.0112 0.1254 0.2385
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0182 0.035
Schistosoma mansoni inosine-5-monophosphate dehydrogenase 0.0418 0.526 0.526
Trypanosoma cruzi GMP reductase 0.0418 0.526 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0153 0.0291
Echinococcus granulosus NAD dependent deacetylase sirtuin 3 0.0112 0.1254 0.1254
Entamoeba histolytica Sir2 family transcriptional regulator, putative 0.0112 0.1254 1
Schistosoma mansoni hypothetical protein 0.0071 0.0709 0.0709
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0239 0.0455
Brugia malayi GMP reductase 0.0182 0.2174 0.4134
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0104 0.0197
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0023 0.0043
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0709 0.0709
Trypanosoma cruzi Silent information regulator 2 related protein 1 0.0112 0.1254 0.2385
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0104 0.0197
Mycobacterium leprae Probable inosine-5'-monophosphate dehydrogenase GuaB3 (IMP dehydrogenase 2) (inosinic acid dehydrogenase) (inosinate dehydrogena 0.0231 0.2804 0.5237
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0023 0.5
Echinococcus granulosus inosine 5' monophosphate dehydrogenase 2 0.0418 0.526 0.526
Schistosoma mansoni chromatin regulatory protein sir2 0.0112 0.1254 0.1254
Leishmania major 4-coumarate:coa ligase-like protein 0.0024 0.0104 0.0197
Brugia malayi inosine-5'-monophosphate dehydrogenase 0.0182 0.2174 0.4134
Loa Loa (eye worm) hypothetical protein 0.003 0.0182 0.0346
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0104 0.0197
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0017 0.001 0.0018
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0048 0.0418 0.0795
Brugia malayi hypothetical protein 0.0071 0.0709 0.1347
Plasmodium vivax acyl-CoA synthetase, putative 0.0018 0.0023 0.0044
Loa Loa (eye worm) hypothetical protein 0.0018 0.0023 0.0043

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.122 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] 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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