Detailed information for compound 1418925

Basic information

Technical information
  • TDR Targets ID: 1418925
  • Name: 8-[1-(1,3-benzodioxol-5-yl)-3-oxo-3-pyrrolidi n-1-ylpropyl]-5,7-dimethoxychromen-2-one
  • MW: 451.469 | Formula: C25H25NO7
  • H donors: 0 H acceptors: 2 LogP: 3.3 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cc(OC)c2c(c1C(c1ccc3c(c1)OCO3)CC(=O)N1CCCC1)oc(=O)cc2
  • InChi: 1S/C25H25NO7/c1-29-19-13-21(30-2)24(25-16(19)6-8-23(28)33-25)17(12-22(27)26-9-3-4-10-26)15-5-7-18-20(11-15)32-14-31-18/h5-8,11,13,17H,3-4,9-10,12,14H2,1-2H3
  • InChiKey: XSTYMHFOPXPAFD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-[1-(1,3-benzodioxol-5-yl)-3-oxo-3-pyrrolidin-1-yl-propyl]-5,7-dimethoxy-chromen-2-one
  • 8-[1-(1,3-benzodioxol-5-yl)-3-oxo-3-1-pyrrolidinylpropyl]-5,7-dimethoxy-2-chromenone
  • 8-[1-(1,3-benzodioxol-5-yl)-3-keto-3-pyrrolidin-1-yl-propyl]-5,7-dimethoxy-coumarin
  • MLS000879502
  • SMR000465547

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed), eta Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL 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
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Leishmania infantum 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
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma mansoni DNA polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma congolense 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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein 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
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum Pc21g17280 protein, related Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii ImpB/MucB/SamB family protein Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania braziliensis DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans similar to S. cerevisiae DNA polymerase pol-eta, involved in the bypass of distorted DNA lesions Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania infantum DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Cryptosporidium parvum importin/karyopherin 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
Cryptosporidium parvum DinB/family X-type DNA polymerase Get druggable targets OG5_128521 All targets in OG5_128521
Trichomonas vaginalis importin 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
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Trypanosoma brucei importin beta-1 subunit, putative 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
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K03509 DNA polymerase eta subunit, putative Get druggable targets OG5_128521 All targets in OG5_128521
Plasmodium falciparum importin beta, putative 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Importin subunit beta-1, 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
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma cruzi DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major DNA polymerase eta, putative Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis dna polymerase eta Get druggable targets OG5_128521 All targets in OG5_128521
Leishmania mexicana 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
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.2147 0.1968
Echinococcus granulosus ATP binding cassette sub family G 0.0445 0.5659 0.5559
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0226 0.2607 0.4202
Echinococcus granulosus ATP binding cassette sub family G 0.0445 0.5659 0.5559
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.071 0.9338 1
Brugia malayi glutaminase DH11.1 0.033 0.4062 0.3926
Brugia malayi hypothetical protein 0.0226 0.2607 0.2438
Echinococcus multilocularis multidrug resistance protein 1 0.0497 0.638 0.6298
Entamoeba histolytica P-glycoprotein 6, putative 0.0226 0.2607 0.2473
Trypanosoma cruzi DNA polymerase eta, putative 0.0054 0.0223 0.0395
Schistosoma mansoni smdr2 0.071 0.9338 0.9323
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.2147 0.1968
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0757 1 1
Loa Loa (eye worm) hypothetical protein 0.071 0.9338 0.9323
Leishmania major p-glycoprotein 0.071 0.9338 1
Loa Loa (eye worm) transcription factor SMAD2 0.0516 0.6642 0.6565
Echinococcus granulosus multidrug resistance protein 1 0.0497 0.638 0.6298
Echinococcus multilocularis tar DNA binding protein 0.0757 1 1
Echinococcus granulosus GPCR family 2 0.0087 0.0675 0.0462
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0226 0.2607 0.4386
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0226 0.2607 0.4202
Plasmodium vivax ABC transporter G family member 2, putative 0.0445 0.5659 0.5393
Leishmania major hypothetical protein, conserved 0.0135 0.135 0.1446
Schistosoma mansoni hypothetical protein 0.0061 0.0314 0.0093
Brugia malayi multidrug resistance protein 3 0.071 0.9338 0.9323
Echinococcus multilocularis multidrug resistance associated protein 1 0.0226 0.2607 0.2438
Trypanosoma brucei multidrug resistance protein E 0.0226 0.2607 0.4386
Loa Loa (eye worm) RNA binding protein 0.0757 1 1
Leishmania major ATP-binding cassette protein subfamily C, member 1, putative 0.0226 0.2607 0.2792
Loa Loa (eye worm) hypothetical protein 0.0213 0.243 0.2256
Brugia malayi Latrophilin receptor protein 2 0.0087 0.0675 0.0462
Onchocerca volvulus 0.071 0.9338 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.071 0.9338 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.071 0.9338 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.071 0.9338 1
Leishmania major DNA polymerase eta, putative 0.0054 0.0223 0.0239
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.071 0.9338 1
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0226 0.2607 0.2792
Loa Loa (eye worm) hypothetical protein 0.0697 0.916 0.9141
Entamoeba histolytica ATP-binding cassette protein, putative 0.0226 0.2607 0.2473
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0226 0.2607 0.2792
Loa Loa (eye worm) hypothetical protein 0.0066 0.0396 0.0176
Toxoplasma gondii ATP-binding cassette G family transporter ABCG87 0.0079 0.0574 0.0614
Entamoeba histolytica P-glycoprotein-1 0.071 0.9338 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.071 0.9338 1
Brugia malayi TAR-binding protein 0.0757 1 1
Trypanosoma cruzi ABC transporter, putative 0.0066 0.0396 0.07
Echinococcus granulosus ATP binding cassette sub family B 0.0226 0.2607 0.2438
Giardia lamblia Multidrug resistance-associated protein 1 0.0226 0.2607 0.0583
Plasmodium falciparum multidrug resistance-associated protein 1 0.0226 0.2607 0.1574
Trypanosoma brucei ABC transporter, putative 0.0445 0.5659 1
Trichomonas vaginalis ABC transporter, putative 0.071 0.9338 1
Entamoeba histolytica P-glyco protein 6, putative 0.071 0.9338 1
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.071 0.9338 1
Toxoplasma gondii LsmAD domain-containing protein 0.0135 0.135 0.1446
Toxoplasma gondii ATP-binding cassette G family transporter ABCG84 0.0445 0.5659 0.606
Chlamydia trachomatis ABC transporter ATP binding protein/permease 0.071 0.9338 0.5
Brugia malayi P-glycoprotein-like protein 0.0226 0.2607 0.2438
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.071 0.9338 0.9323
Schistosoma mansoni multidrug resistance protein 0.0226 0.2607 0.2438
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0087 0.0675 0.0462
Echinococcus multilocularis ATP binding cassette sub family B 0.0226 0.2607 0.2438
Brugia malayi ABC transporter 0.0213 0.243 0.2256
Brugia malayi MH2 domain containing protein 0.0516 0.6642 0.6565
Trypanosoma cruzi ABC transporter of the mitochondrion, putative 0.0226 0.2607 0.4608
Schistosoma mansoni hypothetical protein 0.0087 0.0675 0.0462
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.071 0.9338 0.9323
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.071 0.9338 1
Brugia malayi ABC transporter family protein 0.0378 0.4734 0.4614
Trichomonas vaginalis ABC transporter, half transporter, putative 0.071 0.9338 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0135 0.135 0.2386
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0192 0.2147 0.1968
Trichomonas vaginalis abcb9, putative 0.071 0.9338 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0226 0.2607 0.4202
Plasmodium falciparum multidrug resistance protein 2 0.0226 0.2607 0.1574
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.071 0.9338 0.9323
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.071 0.9338 0.9323
Schistosoma mansoni multidrug resistance protein 0.071 0.9338 0.9323
Echinococcus multilocularis snurportin 1 0.0372 0.464 0.4518
Leishmania major p-glycoprotein e 0.0226 0.2607 0.2792
Echinococcus multilocularis ATP binding cassette sub family B 0.0226 0.2607 0.2438
Leishmania major pentamidine resistance protein 1 0.0226 0.2607 0.2792
Loa Loa (eye worm) hypothetical protein 0.0187 0.2071 0.189
Schistosoma mansoni ATP-binding cassette sub-family B member 7 mitochondrial precursor (abc7) 0.0226 0.2607 0.2438
Plasmodium falciparum multidrug resistance-associated protein 2 0.0226 0.2607 0.1574
Schistosoma mansoni tar DNA-binding protein 0.0757 1 1
Plasmodium vivax multidrug resistance-associated protein 1, putative 0.0226 0.2607 0.1574
Plasmodium vivax multidrug resistance-associated protein 2, putative 0.0226 0.2607 0.1574
Schistosoma mansoni multidrug resistance protein 0.0226 0.2607 0.2438
Schistosoma mansoni hypothetical protein 0.0087 0.0675 0.0462
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.071 0.9338 1
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.071 0.9338 0.9323
Plasmodium falciparum ABC transporter B family member 4, putative 0.0226 0.2607 0.1574
Entamoeba histolytica ATP-binding cassette protein, putative 0.0226 0.2607 0.2473
Echinococcus granulosus ATP binding cassette sub family B 0.0226 0.2607 0.2438
Brugia malayi ABC transporter transmembrane region family protein 0.0226 0.2607 0.2438
Schistosoma mansoni multidrug resistance protein 0.0226 0.2607 0.2438
Echinococcus multilocularis multidrug resistance protein 1 0.071 0.9338 0.9323
Schistosoma mansoni smdr1 0.0226 0.2607 0.2438
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.071 0.9338 1
Brugia malayi multidrug resistance related protein 1 0.0226 0.2607 0.2438
Wolbachia endosymbiont of Brugia malayi ABC-type multidrug transport system, ATPase and permease component 0.0226 0.2607 0.5
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.071 0.9338 1
Echinococcus multilocularis ATP binding cassette sub family B 0.0226 0.2607 0.2438
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.071 0.9338 1
Trichomonas vaginalis ABC transporter, putative 0.071 0.9338 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0087 0.0675 0.0462
Trypanosoma brucei ABC transporter, mitochondrial, putative 0.0226 0.2607 0.4386
Schistosoma mansoni tar DNA-binding protein 0.0757 1 1
Echinococcus granulosus multidrug resistance associated protein 1 0.0226 0.2607 0.2438
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.071 0.9338 0.9323
Giardia lamblia ABC transporter, putative 0.0226 0.2607 0.0583
Loa Loa (eye worm) MH2 domain-containing protein 0.0516 0.6642 0.6565
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0087 0.0675 0.0462
Echinococcus granulosus tar DNA binding protein 0.0757 1 1
Echinococcus granulosus multidrug resistance protein 1 0.071 0.9338 0.9323
Entamoeba histolytica P-glycoprotein-2 0.071 0.9338 1
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.071 0.9338 1
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0087 0.0675 0.0462
Loa Loa (eye worm) glutaminase 0.033 0.4062 0.3926
Wolbachia endosymbiont of Brugia malayi ABC-type protease secretion system, ATPase and permease component, AprD 0.0226 0.2607 0.5
Echinococcus granulosus snurportin 1 0.0372 0.464 0.4518
Trichomonas vaginalis glutaminase, putative 0.033 0.4062 0.2363
Entamoeba histolytica ABC transporter, putative 0.0445 0.5659 0.5885
Plasmodium vivax ABC transporter B family member 6, putative 0.0226 0.2607 0.1574
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0445 0.5659 1
Schistosoma mansoni ABC transporter 0.0066 0.0396 0.0176
Leishmania major ATP-binding cassette protein subfamily C, member 5, putative 0.0226 0.2607 0.2792
Brugia malayi ABC transporter transmembrane region family protein 0.0226 0.2607 0.2438
Trypanosoma cruzi ATP-binding cassette protein subfamily G 0.0079 0.0574 0.1014
Mycobacterium ulcerans component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD 0.0226 0.2607 0.4202
Leishmania major ATP-binding cassette protein subfamily C, member 2, putative 0.0226 0.2607 0.2792
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0226 0.2607 0.2792
Schistosoma mansoni ABC transporter 0.0378 0.4734 0.4614
Schistosoma mansoni tar DNA-binding protein 0.0757 1 1
Plasmodium falciparum ABC transporter B family member 7, putative 0.0226 0.2607 0.1574
Schistosoma mansoni hypothetical protein 0.0372 0.464 0.4518
Leishmania major ATP-binding cassette protein subfamily G, member 6, putative 0.0445 0.5659 0.606
Trypanosoma brucei ATP-binding cassette protein subfamily G 0.0079 0.0574 0.0644
Plasmodium falciparum ABC transporter G family member 2 0.0445 0.5659 0.5393
Echinococcus multilocularis ATP binding cassette sub family G 0.0445 0.5659 0.5559
Loa Loa (eye worm) ABC transporter 0.0226 0.2607 0.2438
Trypanosoma brucei ABC transporter of the mitochondrion, putative 0.0226 0.2607 0.4386
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.071 0.9338 1
Plasmodium falciparum ABC transporter B family member 6, putative 0.0226 0.2607 0.1574
Leishmania major ATP-binding cassette protein subfamily G, member 5, putative 0.0079 0.0574 0.0614
Trypanosoma cruzi ATP-binding cassette protein, putative 0.0445 0.5659 1
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0445 0.5659 1
Mycobacterium tuberculosis Probable transmembrane multidrug efflux pump 0.071 0.9338 1
Trichomonas vaginalis ABC transporter, putative 0.071 0.9338 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0135 0.135 0.2386
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.071 0.9338 1
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0574 0.1014
Loa Loa (eye worm) pax transcription factor protein 2 0.024 0.2803 0.2638
Trichomonas vaginalis ABC transporter, half transporter, putative 0.071 0.9338 1
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0061 0.0314 0.0093
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.2147 0.1968
Leishmania major ATP-binding cassette protein subfamily C, member 8, putative 0.0226 0.2607 0.2792
Loa Loa (eye worm) hypothetical protein 0.0226 0.2607 0.2438
Toxoplasma gondii ABC transporter family protein 0.0226 0.2607 0.2792
Trichomonas vaginalis taga, putative 0.071 0.9338 1
Leishmania major ATP-binding cassette protein subfamily B, member 3, putative 0.0226 0.2607 0.2792
Plasmodium vivax ABC transporter B family member 3, putative 0.0226 0.2607 0.1574
Loa Loa (eye worm) ABC transporter 0.0226 0.2607 0.2438
Plasmodium falciparum multidrug resistance protein 1 0.071 0.9338 1
Echinococcus granulosus multidrug resistance protein 1 0.071 0.9338 0.9323
Schistosoma mansoni multidrug resistance protein 0.0226 0.2607 0.2438
Trypanosoma cruzi ABC transporter, putative 0.0445 0.5659 1
Brugia malayi RNA recognition motif domain containing protein 0.0757 1 1
Plasmodium falciparum ABC transporter B family member 3, putative 0.0226 0.2607 0.1574
Schistosoma mansoni tar DNA-binding protein 0.0757 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.2147 0.1968
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0226 0.2607 0.4608
Onchocerca volvulus 0.024 0.2803 0.1594
Entamoeba histolytica P-glycoprotein 5, putative 0.071 0.9338 1
Toxoplasma gondii ATP-binding cassette transporter ABC.B1 0.071 0.9338 1
Plasmodium vivax ABC transporter B family member 5, putative 0.0226 0.2607 0.1574
Loa Loa (eye worm) hypothetical protein 0.071 0.9338 0.9323
Leishmania major ATP-binding cassette protein subfamily G, member 4, putative 0.0445 0.5659 0.606
Trypanosoma cruzi multidrug resistance protein E, putative 0.0226 0.2607 0.4608
Brugia malayi ABC transporter family protein 0.0226 0.2607 0.2438
Loa Loa (eye worm) hypothetical protein 0.0226 0.2607 0.2438
Trypanosoma cruzi ATP-binding cassette protein subfamily G 0.0079 0.0574 0.1014
Echinococcus multilocularis multidrug resistance associated protein 7 0.0226 0.2607 0.2438
Loa Loa (eye worm) ABC transporter 0.0226 0.2607 0.2438
Mycobacterium ulcerans drugs-transport transmembrane ATP-binding protein ABC transporter 0.0226 0.2607 0.4202
Brugia malayi RE11181p 0.0066 0.0396 0.0176
Schistosoma mansoni hypothetical protein 0.0087 0.0675 0.0462
Mycobacterium tuberculosis Iron-regulated transporter IrtA 0.0226 0.2607 0.2473
Leishmania major ATP-binding cassette protein subfamily B, member 1, putative 0.0226 0.2607 0.2792
Brugia malayi multidrug Resistance Protein family member (mrp-5), putative 0.0226 0.2607 0.2438
Entamoeba histolytica hypothetical protein 0.0226 0.2607 0.2473
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.071 0.9338 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0192 0.2147 0.1968
Brugia malayi latrophilin 2 splice variant baaae 0.0187 0.2071 0.189
Trypanosoma brucei ATP-binding cassette protein, putative 0.0445 0.5659 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0192 0.2147 0.1968
Schistosoma mansoni multidrug resistance protein 0.071 0.9338 0.9323
Trypanosoma cruzi ABC transporter, putative 0.0079 0.0574 0.1014
Entamoeba histolytica P-glycoprotein-2, putative 0.0213 0.243 0.2274
Entamoeba histolytica multidrug resistance protein, putative 0.0226 0.2607 0.2473
Schistosoma mansoni multidrug resistance protein 0.0226 0.2607 0.2438
Toxoplasma gondii ABC transporter, putative 0.0226 0.2607 0.2792
Trypanosoma cruzi ABC transporter, putative 0.0066 0.0396 0.07
Giardia lamblia ABC transporter 0.0432 0.5481 1
Loa Loa (eye worm) TAR-binding protein 0.0757 1 1
Loa Loa (eye worm) hypothetical protein 0.0087 0.0675 0.0462
Schistosoma mansoni hypothetical protein 0.0087 0.0675 0.0462
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0226 0.2607 0.2792
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0273 0.3275 0.3121
Schistosoma mansoni glutaminase 0.033 0.4062 0.3926
Entamoeba histolytica P-glycoprotein 6, putative 0.0226 0.2607 0.2473
Echinococcus multilocularis ATP binding cassette sub family B 0.0226 0.2607 0.2438
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.464 0.4518
Brugia malayi hypothetical protein 0.0066 0.0396 0.0176
Leishmania major ATP-binding cassette protein subfamily B, member 2, putative 0.071 0.9338 1
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.0396 0.07
Loa Loa (eye worm) hypothetical protein 0.015 0.1563 0.137
Trypanosoma cruzi ABC transporter, mitochondrial, putative 0.0226 0.2607 0.4608
Trypanosoma cruzi hypothetical protein, conserved 0.0079 0.0574 0.1014
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0192 0.2147 0.1968
Brugia malayi ABC transporter family protein 0.071 0.9338 0.9323
Schistosoma mansoni tar DNA-binding protein 0.0757 1 1
Loa Loa (eye worm) hypothetical protein 0.0066 0.0396 0.0176
Loa Loa (eye worm) ATP-binding cassette sub-family B member 2 0.071 0.9338 0.9323
Brugia malayi hypothetical protein 0.0135 0.135 0.1153
Loa Loa (eye worm) multidrug resistance protein 3 0.071 0.9338 0.9323
Entamoeba histolytica ABC transporter, putative 0.0226 0.2607 0.2473
Mycobacterium ulcerans transmembrane ABC transporter ATP-binding protein 0.0445 0.5659 1
Entamoeba histolytica P-glycoprotein 5, putative 0.0213 0.243 0.2274
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.071 0.9338 0.9323
Leishmania major ATP-binding cassette protein subfamily C, member 6, putative 0.0226 0.2607 0.2792
Echinococcus multilocularis GPCR, family 2 0.0087 0.0675 0.0462
Loa Loa (eye worm) hypothetical protein 0.0273 0.3275 0.3121
Trypanosoma brucei ABC transporter, putative 0.0079 0.0574 0.0644
Brugia malayi ABC transporter 0.0226 0.2607 0.2438
Loa Loa (eye worm) hypothetical protein 0.0066 0.0396 0.0176
Loa Loa (eye worm) glutaminase 2 0.033 0.4062 0.3926
Entamoeba histolytica P-glycoprotein-2, putative 0.071 0.9338 1
Giardia lamblia MRP-like ABC transporter 0.0226 0.2607 0.0583
Trypanosoma brucei p-glycoprotein 0.0226 0.2607 0.4386
Plasmodium falciparum ABC transporter B family member 5, putative 0.0226 0.2607 0.1574
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.071 0.9338 1
Giardia lamblia Multidrug resistance-associated protein 1 0.0226 0.2607 0.0583
Schistosoma mansoni multidrug resistance protein 0.0213 0.243 0.2256
Loa Loa (eye worm) ABC transporter 0.0378 0.4734 0.4614
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.071 0.9338 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0273 0.3275 0.3121
Trichomonas vaginalis abcb9, putative 0.071 0.9338 1
Plasmodium vivax multidrug resistance protein 1, putative 0.071 0.9338 1
Mycobacterium tuberculosis Probable conserved transmembrane ATP-binding protein ABC transporter 0.0366 0.4557 0.4653
Brugia malayi ABC transporter family protein 0.0226 0.2607 0.2438
Loa Loa (eye worm) latrophilin receptor protein 2 0.0087 0.0675 0.0462
Trichomonas vaginalis abcb9, putative 0.071 0.9338 1
Loa Loa (eye worm) hypothetical protein 0.0226 0.2607 0.2438
Brugia malayi Pax transcription factor protein 2 0.024 0.2803 0.2638
Brugia malayi RNA, U transporter 1 0.0099 0.0849 0.0639
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0192 0.2147 0.1968
Toxoplasma gondii ATP-binding cassette sub-family B member 5 0.0226 0.2607 0.2792
Echinococcus granulosus ATP binding cassette sub family G 0.0445 0.5659 0.5559
Brugia malayi ABC transporter family protein 0.0226 0.2607 0.2438
Leishmania major ABC-thiol transporter 0.0226 0.2607 0.2792
Echinococcus multilocularis ATP binding cassette subfamily B (MDR:TAP) 0.071 0.9338 0.9323
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0226 0.2607 0.2792
Brugia malayi hypothetical protein 0.015 0.1563 0.137
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0226 0.2607 1
Entamoeba histolytica P-glycoprotein-2 0.071 0.9338 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0087 0.0675 0.0462
Trypanosoma cruzi multidrug resistance-associated protein, putative 0.0226 0.2607 0.4608
Entamoeba histolytica ATP-binding cassette protein, putative 0.0226 0.2607 0.2473
Schistosoma mansoni hypothetical protein 0.0366 0.4557 0.4432
Echinococcus granulosus ATP binding cassette subfamily B MDR:TAP 0.071 0.9338 0.9323
Trypanosoma brucei multidrug resistance-associated protein, putative 0.0226 0.2607 0.4386
Loa Loa (eye worm) ABC transporter transmembrane region family protein 0.0226 0.2607 0.2438
Echinococcus multilocularis ATP binding cassette sub family G 0.0445 0.5659 0.5559
Mycobacterium leprae PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER 0.0226 0.2607 1
Toxoplasma gondii ATP-binding cassette G family transporter ABCG107 0.0079 0.0574 0.0614
Plasmodium vivax ABC transporter B family member 4, putative 0.0226 0.2607 0.1574
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.071 0.9338 1
Echinococcus granulosus 5'partial|ATP binding cassette sub family B 0.0697 0.916 0.9141
Plasmodium vivax ABC transporter B family member 7, putative 0.0226 0.2607 0.1574
Trichomonas vaginalis multidrug resistance protein 1, 2, putative 0.071 0.9338 1
Echinococcus multilocularis 0.0226 0.2607 0.2438
Entamoeba histolytica ATP-binding cassette protein, putative 0.0226 0.2607 0.2473
Schistosoma mansoni ATP-binding cassette sub-family g2 (white protein) (abcg2) 0.0445 0.5659 0.5559
Leishmania major ATP-binding cassette protein subfamily G, member 2, putative 0.0079 0.0574 0.0614
Loa Loa (eye worm) hypothetical protein 0.0213 0.243 0.2256
Schistosoma mansoni ATP-binding cassette sub-family B member 6 mitochondrial precursor (abc6) 0.0213 0.243 0.2256
Loa Loa (eye worm) hypothetical protein 0.0135 0.135 0.1153
Toxoplasma gondii ATP-binding cassette G family transporter ABCG89 0.0079 0.0574 0.0614
Echinococcus granulosus ATP binding cassette sub family B 0.0213 0.243 0.2256
Mycobacterium tuberculosis Probable drugs-transport transmembrane ATP-binding protein ABC transporter 0.0226 0.2607 0.2473
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.0226 0.2607 0.2792
Toxoplasma gondii ATP-binding cassette G family transporter ABCG96 0.0079 0.0574 0.0614
Echinococcus multilocularis ATP binding cassette sub family B 0.0697 0.916 0.9141
Trichomonas vaginalis ATP-binding cassette transporter, putative 0.0497 0.638 0.5719
Echinococcus granulosus multidrug resistance protein 1 0.0497 0.638 0.6298
Mycobacterium ulcerans glutaminase 0.033 0.4062 0.6966
Trichomonas vaginalis lipid A export ATP-binding/permease protein msba, putative 0.0226 0.2607 0.0257
Echinococcus multilocularis ATP binding cassette sub family G 0.0445 0.5659 0.5559
Leishmania major ATP-binding cassette protein subfamily G, member 1, putative 0.0079 0.0574 0.0614
Toxoplasma gondii ABC transporter transmembrane region domain-containing protein 0.071 0.9338 1
Echinococcus granulosus multidrug resistance protein 1 0.071 0.9338 0.9323
Trypanosoma brucei PAB1-binding protein , putative 0.0135 0.135 0.2073
Brugia malayi hypothetical protein 0.0087 0.0685 0.0472
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0273 0.3275 0.3121
Trichomonas vaginalis ABC transporter, putative 0.071 0.9338 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0061 0.0314 0.0093
Entamoeba histolytica P-glycoprotein-5 0.071 0.9338 1
Brugia malayi ABC transporter transmembrane region family protein 0.0213 0.243 0.2256
Schistosoma mansoni hypothetical protein 0.0187 0.2071 0.189
Echinococcus multilocularis multidrug resistance protein 1 0.071 0.9338 0.9323
Schistosoma mansoni multidrug resistance protein 0.071 0.9338 0.9323
Plasmodium vivax multidrug resistance protein 2, putative 0.0226 0.2607 0.1574
Echinococcus granulosus multidrug resistance associated protein 7 0.0226 0.2607 0.2438

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 8.9125 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 9.285 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
Potency (functional) 10.4179 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) 11.2202 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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
Potency (functional) 15.8489 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Fluorescein Labeled MLL-derived Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (binding) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 44.6684 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Kappa. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588638] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) 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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