Detailed information for compound 1312195

Basic information

Technical information
  • TDR Targets ID: 1312195
  • Name: N-[2-(3,4-diethoxyphenyl)ethyl]-1-(7-methyl-5 -oxo-[1,3,4]thiadiazolo[4,5-a]pyrimidin-2-yl) piperidine-3-carboxamide
  • MW: 485.599 | Formula: C24H31N5O4S
  • H donors: 1 H acceptors: 2 LogP: 3.01 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOc1cc(CCNC(=O)C2CCCN(C2)c2nn3c(s2)nc(cc3=O)C)ccc1OCC
  • InChi: 1S/C24H31N5O4S/c1-4-32-19-9-8-17(14-20(19)33-5-2)10-11-25-22(31)18-7-6-12-28(15-18)24-27-29-21(30)13-16(3)26-23(29)34-24/h8-9,13-14,18H,4-7,10-12,15H2,1-3H3,(H,25,31)
  • InChiKey: FDOHUPCTFAKSOY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[2-(3,4-diethoxyphenyl)ethyl]-1-(7-methyl-5-oxo-[1,3,4]thiadiazolo[4,5-a]pyrimidin-2-yl)-3-piperidinecarboxamide
  • N-[2-(3,4-diethoxyphenyl)ethyl]-1-(5-keto-7-methyl-[1,3,4]thiadiazolo[4,5-a]pyrimidin-2-yl)nipecotamide
  • SMR000029565
  • MLS000863518
  • MLS000093951
  • N-[2-(3,4-diethoxyphenyl)ethyl]-1-(7-methyl-5-oxo-5H-[1,3,4]thiadiazolo[3,2-a]pyrimidin-2-yl)piperidine-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references
Homo sapiens ATPase family, AAA domain containing 5 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core Get druggable targets OG5_139225 All targets in OG5_139225
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana importin beta-1 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
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major 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
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei 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
Trypanosoma brucei importin beta-1 subunit, putative 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
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin 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
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis importin subunit beta 1 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
Schistosoma mansoni importin beta-1 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 ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta 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) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 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
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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 multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1848 0.1626
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0025 0.0025
Entamoeba histolytica Ran family GTPase 0.0026 0.0145 0.0129
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0044 0.0028
Loa Loa (eye worm) glutamate-cysteine ligase modifier subunit 0.043 0.2876 0.2865
Trichomonas vaginalis aldo-keto reductase, putative 0.043 0.2876 0.2876
Echinococcus granulosus importin subunit beta 1 0.0035 0.0207 0.0191
Plasmodium falciparum importin beta, putative 0.0035 0.0207 0.0667
Echinococcus granulosus aldo keto reductase 0.1485 1 1
Entamoeba histolytica aldose reductase, putative 0.1485 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0025 0.0025
Schistosoma mansoni pol-related 0.1485 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0265 0.0265
Onchocerca volvulus 0.1485 1 1
Onchocerca volvulus 0.1485 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Echinococcus granulosus hypothetical protein 0.1485 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0025 0.0025
Trichomonas vaginalis hypothetical protein 0.0007 0.0016 0.0016
Echinococcus multilocularis aldo keto reductase 0.1485 1 1
Leishmania major aldo/keto reductase, putative,aldo/keto reductase family-like protein 0.043 0.2876 0.2865
Trypanosoma brucei prostaglandin f synthase 0.1485 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1485 1 1
Schistosoma mansoni aldo-keto reductase 0.1485 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0265 0.026
Loa Loa (eye worm) oxidoreductase 0.1485 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0265 0.025
Mycobacterium ulcerans hypothetical protein 0.043 0.2876 0.2682
Echinococcus multilocularis voltage gated potassium channel subunit 0.043 0.2876 0.2865
Brugia malayi NADH-dependent xylose reductase 0.043 0.2876 0.2865
Plasmodium vivax importin-beta 2, putative 0.0035 0.0207 0.0667
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0265 0.025
Echinococcus granulosus aldo keto reductase 0.1485 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Echinococcus granulosus cpg binding protein 0.0037 0.0219 0.0203
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0207 0.0191
Schistosoma mansoni cpg binding protein 0.0035 0.0206 0.0201
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0265 0.026
Loa Loa (eye worm) hypothetical protein 0.0035 0.0207 0.0191
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0025 0.0025
Toxoplasma gondii oxidoreductase, aldo/keto reductase family protein 0.043 0.2876 0.2865
Entamoeba histolytica alcohol dehydrogenase, putative 0.043 0.2876 0.2865
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.003 0.0014
Loa Loa (eye worm) oxidoreductase 0.1485 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1485 1 1
Plasmodium falciparum aldo-keto reductase, putative 0.043 0.2876 1
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.1485 1 1
Trichomonas vaginalis helicase, putative 0.0008 0.0025 0.0025
Echinococcus multilocularis snurportin 1 0.0372 0.2482 0.247
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0043 0.0027
Trypanosoma cruzi aldo-keto reductase 0.1485 1 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1485 1 1
Echinococcus granulosus aldehyde reductase 0.1055 0.7095 0.7091
Loa Loa (eye worm) hypothetical protein 0.0043 0.0265 0.025
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1485 1 1
Echinococcus multilocularis aldo keto reductase 0.1485 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0265 0.025
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1485 1 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Loa Loa (eye worm) oxidoreductase 0.1485 1 1
Brugia malayi RNA, U transporter 1 0.0099 0.064 0.0625
Trypanosoma cruzi aldo/keto reductase, putative 0.1485 1 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0162 0.0018
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0145 0.0129
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0265 0.0265
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0979 0.6586 0.658
Leishmania major importin beta-1 subunit, putative 0.0028 0.0162 0.0146
Toxoplasma gondii aldose reductase, putative 0.1485 1 1
Mycobacterium leprae Conserved hypothetical protein 0.1055 0.7095 0.7016
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1485 1 1
Echinococcus multilocularis aldehyde reductase 0.1055 0.7095 0.7091
Entamoeba histolytica aldose reductase, putative 0.1485 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0468 0.0464
Trichomonas vaginalis conserved hypothetical protein 0.043 0.2876 0.2876
Echinococcus granulosus mixed lineage leukemia protein mll 0.0009 0.003 0.0014
Loa Loa (eye worm) oxidoreductase 0.1485 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.0265 0.025
Echinococcus granulosus aldo keto reductase family 1, member B4 0.043 0.2876 0.2865
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Trichomonas vaginalis ran, putative 0.0026 0.0145 0.0145
Schistosoma mansoni importin beta-1 0.0035 0.0207 0.0202
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2482 0.247
Plasmodium vivax aldehyde reductase, putative 0.043 0.2876 1
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0145 0.045
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1485 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0044 0.0028
Onchocerca volvulus 0.1485 1 1
Leishmania major aldo-keto reductase-like protein 0.1485 1 1
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0207 0.0191
Entamoeba histolytica hypothetical protein 0.0028 0.0162 0.0146
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.1485 1 1
Toxoplasma gondii aldo/keto reductase family oxidoreductase 0.043 0.2876 0.2865
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0206 0.019
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0025 0.0025
Schistosoma mansoni ran 0.0026 0.0145 0.014
Trichomonas vaginalis esterase, putative 0.0043 0.0265 0.0265
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.0415 0.04
Echinococcus granulosus snurportin 1 0.0372 0.2482 0.247
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0265 0.0265
Trypanosoma cruzi aldo/keto reductase, putative 0.043 0.2876 0.2772
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.0219 0.0214
Mycobacterium leprae Possible oxidoreductase 0.043 0.2876 0.2682
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0025 0.0025
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0145 0.045
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0162 0.0162
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0207 0.0191
Loa Loa (eye worm) hypothetical protein 0.0043 0.0265 0.025
Schistosoma mansoni aldo-keto reductase 0.1485 1 1
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0162 0.0162
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0265 0.0265
Schistosoma mansoni ran 0.0026 0.0145 0.014
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0025 0.0025
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0025 0.0025
Trypanosoma brucei aldo-keto reductase, putative 0.1485 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.043 0.2876 0.2876
Loa Loa (eye worm) beta-lactamase 0.0043 0.0265 0.025
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1485 1 1
Mycobacterium ulcerans oxidoreductase 0.1485 1 1
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1485 1 1
Echinococcus multilocularis aldo keto reductase 0.1485 1 1
Giardia lamblia Aldose reductase 0.1485 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1485 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0265 0.0265
Brugia malayi Importin beta-1 subunit 0.0035 0.0207 0.0191
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.1485 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.043 0.2876 0.2876
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0265 0.025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.1485 1 1
Onchocerca volvulus 0.043 0.2876 0.2727
Onchocerca volvulus 0.1485 1 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0008 0.0025 0.0025
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0145 0.0129
Trypanosoma brucei aldo/keto reductase, putative 0.043 0.2876 0.2865
Echinococcus granulosus aldo keto reductase 0.1485 1 1
Brugia malayi beta-lactamase 0.0043 0.0265 0.025
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0025 0.0025
Brugia malayi CXXC zinc finger family protein 0.0035 0.0206 0.019
Trichomonas vaginalis aldo/keto reductase, putative 0.1485 1 1
Plasmodium vivax oxidoreductase, aldo/keto reductase domain containing protein 0.043 0.2876 1
Onchocerca volvulus 0.0043 0.0265 0.0061
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1485 1 1
Brugia malayi beta-lactamase family protein 0.0043 0.0265 0.025
Trichomonas vaginalis alcohol dehydrogenase, putative 0.043 0.2876 0.2876
Loa Loa (eye worm) hypothetical protein 0.0043 0.0265 0.025
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0025 0.0025
Giardia lamblia Aldose reductase 0.1485 1 1
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0145 0.0129
Leishmania major GTP-binding protein, putative 0.0026 0.0145 0.0129
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0025 0.0025
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0009 0.003 0.0025
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.1485 1 1
Onchocerca volvulus 0.0043 0.0265 0.0061
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0145 0.0129
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0025 0.0025
Leishmania major prostaglandin f synthase, putative 0.1485 1 1
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0265 0.0122
Loa Loa (eye worm) hypothetical protein 0.1485 1 1
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0044 0.0028
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0145 0.0129
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0265 0.0122
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0265 0.0871
Onchocerca volvulus 0.0043 0.0265 0.0061
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.1485 1 1
Schistosoma mansoni importin-beta 2 0.0007 0.0016 0.0011
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0207 0.0191
Loa Loa (eye worm) oxidoreductase 0.1485 1 1
Echinococcus multilocularis cpg binding protein 0.0037 0.0219 0.0203
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0025 0.0025
Onchocerca volvulus 0.1485 1 1
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0265 0.025
Toxoplasma gondii ABC1 family protein 0.0043 0.0265 0.025
Schistosoma mansoni hypothetical protein 0.0372 0.2482 0.2479
Schistosoma mansoni potassium channel beta 0.043 0.2876 0.2873
Loa Loa (eye worm) hypothetical protein 0.0043 0.0265 0.025
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1485 1 1
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1485 1 1
Echinococcus granulosus voltage gated potassium channel subunit 0.043 0.2876 0.2865
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0025 0.0025
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0265 0.025
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0009 0.003 0.0014
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0162 0.0162
Echinococcus granulosus aldo keto reductase family 1 member B4 0.1485 1 1
Mycobacterium tuberculosis Conserved protein 0.043 0.2876 0.2682
Echinococcus multilocularis aldo keto reductase 0.1485 1 1
Brugia malayi glutamate-cysteine ligase modifier subunit 0.043 0.2876 0.2865
Plasmodium falciparum aldehyde reductase, putative 0.043 0.2876 1
Trichomonas vaginalis aldo/keto reductase, putative 0.1485 1 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.003 0.0014
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0008 0.0025 0.0025
Toxoplasma gondii aldo-keto reductase 0.043 0.2876 0.2865
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Trichomonas vaginalis conserved hypothetical protein 0.0008 0.0025 0.0025
Leishmania major hypothetical protein, conserved 0.0043 0.0265 0.025
Onchocerca volvulus 0.1485 1 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0265 0.025
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Entamoeba histolytica aldose reductase, putative 0.1485 1 1
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.1485 1 1
Schistosoma mansoni cpg binding protein 0.0037 0.0219 0.0214
Trichomonas vaginalis aldo-keto reductase, putative 0.1485 1 1
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0145 0.0129
Entamoeba histolytica alcohol dehydrogenase, putative 0.043 0.2876 0.2865

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1472 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) 3.6626 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 5.2213 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) 7.3078 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) = 15.8489 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 95.2834 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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