Detailed information for compound 1126630

Basic information

Technical information
  • TDR Targets ID: 1126630
  • Name: (4R,6R)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-e thynylphenyl)-6-[[4-(hydroxymethyl)phenyl]met hoxy]-5,6-dihydro-4H-pyran-2-carboxamide
  • MW: 493.553 | Formula: C30H27N3O4
  • H donors: 3 H acceptors: 3 LogP: 4.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: C#Cc1ccc(cc1)[C@@H]1C[C@H](OCc2ccc(cc2)CO)OC(=C1)C(=O)NCc1nc2c([nH]1)cccc2
  • InChi: 1S/C30H27N3O4/c1-2-20-11-13-23(14-12-20)24-15-27(30(35)31-17-28-32-25-5-3-4-6-26(25)33-28)37-29(16-24)36-19-22-9-7-21(18-34)8-10-22/h1,3-15,24,29,34H,16-19H2,(H,31,35)(H,32,33)/t24-,29+/m0/s1
  • InChiKey: DHDIJYKXAABNNJ-PWUYWRBVSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4R,6R)-N-(1H-benzimidazol-2-ylmethyl)-4-(4-ethynylphenyl)-6-(4-methylolbenzyl)oxy-5,6-dihydro-4H-pyran-2-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Staphylococcus aureus (strain N315) Probable nicotinate-nucleotide adenylyltransferase Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Babesia bovis cytidylyltransferase family protein Get druggable targets OG5_131883 All targets in OG5_131883
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta 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
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania donovani 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
Trypanosoma congolense importin beta-1 subunit, putative 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
Plasmodium knowlesi nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, 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
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Trypanosoma brucei 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
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
Babesia bovis importin beta 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 vivax importin-beta 2, 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
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi Importin beta-1 subunit 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
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic Get druggable targets OG5_131883 All targets in OG5_131883
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC Get druggable targets OG5_131883 All targets in OG5_131883
Toxoplasma gondii HEAT repeat-containing protein 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
Plasmodium falciparum importin beta, 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
Theileria parva hypothetical protein, conserved Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium knowlesi importin 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
Treponema pallidum hypothetical protein Get druggable targets OG5_131883 All targets in OG5_131883
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, 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
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Trypanosoma cruzi importin beta-1 subunit, 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
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei nicotinamide/nicotinic acid mononucleotide adenylyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii Predicted nucleotidyltransferase, putative Get druggable targets OG5_131883 All targets in OG5_131883
Echinococcus multilocularis importin subunit beta 1 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 yoelii importin beta-1 subunit 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
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 20.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 210 aa 23.8 %
Trypanosoma brucei variant surface glycoprotein (VSG, atypical), putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 171 aa 20.5 %
Entamoeba histolytica NMN adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 153 aa 24.2 %
Entamoeba histolytica nicotinamide nucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 204 aa 24.5 %
Plasmodium knowlesi cytoskeleton associated protein, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 170 aa 23.5 %
Trichomonas vaginalis nicotinamide mononucleotide adenylyltransferase, putative Probable nicotinate-nucleotide adenylyltransferase   189 aa 205 aa 19.0 %
Giardia lamblia Nicotinamide-nucleotide adenylyltransferase Probable nicotinate-nucleotide adenylyltransferase   189 aa 247 aa 20.6 %
Trypanosoma cruzi hypothetical protein, conserved Probable nicotinate-nucleotide adenylyltransferase   189 aa 200 aa 21.0 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0034 0.019 0.0268
Mycobacterium ulcerans 6-phosphofructokinase 0.0117 0.1264 0.2969
Plasmodium vivax SET domain protein, putative 0.0034 0.019 0.0416
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0231 0.0085
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.1264 1
Schistosoma mansoni hypothetical protein 0.0035 0.0197 0.0075
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0539 0.1247
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0539 0.1247
Toxoplasma gondii aldehyde dehydrogenase 0.0061 0.0539 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0105 0.0215
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0032 0.0157 0.0248
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0157 0.0137
Schistosoma mansoni hypothetical protein 0.0035 0.0197 0.0075
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0173 0.004
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.1264 0.1684
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0157 0.0338
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0157 0.0137
Echinococcus granulosus snurportin 1 0.0372 0.4575 0.6677
Leishmania major importin beta-1 subunit, putative 0.0028 0.0114 0.0075
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0032 0.0157 0.0137
Plasmodium vivax 6-phosphofructokinase, putative 0.0032 0.0157 0.0338
Brugia malayi latrophilin 2 splice variant baaae 0.0075 0.0718 0.2248
Schistosoma mansoni hypothetical protein 0.0075 0.0718 0.0861
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0933 0.0798
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.0933 0.2015
Loa Loa (eye worm) hypothetical protein 0.0075 0.0718 0.1543
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0061 0.0539 0.3747
Echinococcus granulosus 6 phosphofructokinase 0.0117 0.1264 0.1684
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0109 0.1168 0.2529
Entamoeba histolytica hypothetical protein 0.0028 0.0114 0.0075
Loa Loa (eye worm) hypothetical protein 0.0146 0.1643 0.3571
Brugia malayi Calcitonin receptor-like protein seb-1 0.0109 0.1168 0.3896
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0933 0.1186
Schistosoma mansoni hypothetical protein 0.0541 0.6779 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0105 0.0215
Loa Loa (eye worm) jmjC domain-containing protein 0.0064 0.0573 0.1225
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0117 0.1264 0.2723
Brugia malayi 6-phosphofructokinase 0.0117 0.1264 0.4248
Brugia malayi phosphofructokinase 0.0117 0.1264 0.4248
Onchocerca volvulus 0.0146 0.1643 0.4875
Plasmodium vivax hypothetical protein, conserved 0.0031 0.0147 0.0315
Brugia malayi hypothetical protein 0.0146 0.1643 0.5637
Loa Loa (eye worm) latrophilin receptor protein 2 0.0035 0.0197 0.0399
Mycobacterium ulcerans hypothetical protein 0.0028 0.0105 0.0215
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0032 0.0157 1
Echinococcus granulosus jumonji domain containing protein 0.0043 0.0304 0.0236
Loa Loa (eye worm) hypothetical protein 0.0109 0.1168 0.2529
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0157 0.0137
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0117 0.1264 0.2994
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0345 0.4222 1
Brugia malayi Pre-SET motif family protein 0.0238 0.2833 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0021 0.0015 0.0035
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0028 0.0105 0.0249
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0101 0.1057 0.1373
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1264 0.3657
Echinococcus multilocularis GPCR, family 2 0.0035 0.0197 0.005
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0157 0.0338
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.019 0.0043
Schistosoma mansoni hypothetical protein 0.0541 0.6779 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.4575 1
Echinococcus granulosus geminin 0.0541 0.6779 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0933 0.1186
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.019 0.0043
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0028 0.0105 0.0249
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0157 0.0137
Brugia malayi Pre-SET motif family protein 0.0034 0.019 0.031
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0035 0.0197 0.0075
Treponema pallidum hypothetical protein 0.0345 0.4222 1
Trichomonas vaginalis set domain proteins, putative 0.027 0.3259 1
Echinococcus multilocularis snurportin 1 0.0372 0.4575 0.4494
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1264 0.3657
Loa Loa (eye worm) phosphofructokinase 0.0117 0.1264 0.274
Brugia malayi Latrophilin receptor protein 2 0.0035 0.0197 0.0336
Schistosoma mansoni jumonji domain containing protein 0.008 0.0788 0.0967
Plasmodium falciparum importin beta, putative 0.0035 0.0199 0.0439
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0933 0.1186
Loa Loa (eye worm) hypothetical protein 0.0028 0.0105 0.0198
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0231 0.0127
Echinococcus multilocularis 6 phosphofructokinase 0.0117 0.1264 0.1134
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0035 0.0197 0.005
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.1264 0.274
Loa Loa (eye worm) 6-phosphofructokinase 0.0117 0.1264 0.274
Echinococcus multilocularis geminin 0.0541 0.6779 0.6731
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0117 0.1264 0.2815
Brugia malayi Bromodomain containing protein 0.0031 0.0147 0.0154
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.019 0.0064
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0539 0.0591
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0028 0.0105 0.0215
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.0933 0.3036
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.1264 1
Loa Loa (eye worm) hypothetical protein 0.0034 0.019 0.0384
Schistosoma mansoni 6-phosphofructokinase 0.0117 0.1264 0.1684
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0345 0.4222 1
Schistosoma mansoni hypothetical protein 0.0035 0.0197 0.0075
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0032 0.0157 0.0338
Echinococcus granulosus importin subunit beta 1 0.0035 0.0199 0.0079
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0231 0.0127
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0345 0.4222 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0199 0.0405
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0035 0.0197 0.005
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.0933 0.1186
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.019 0.0064
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0231 0.0475
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0345 0.4222 1
Toxoplasma gondii 6-phosphofructokinase 0.0032 0.0157 0.0248
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0035 0.0197 0.0075
Leishmania major ATP-dependent phosphofructokinase 0.0117 0.1264 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.019 0.0064
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0035 0.0197 0.0336
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0345 0.4222 1
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0157 0.0137
Loa Loa (eye worm) hypothetical protein 0.0028 0.0105 0.0198
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.019 0.1085
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0028 0.0105 0.0215
Brugia malayi 6-phosphofructokinase 0.0117 0.1264 0.4248
Onchocerca volvulus Alhambra homolog 0.0031 0.0147 0.0133
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.019 0.0064
Toxoplasma gondii phosphofructokinase PFKII 0.0032 0.0157 0.0248
Brugia malayi jmjC domain containing protein 0.0037 0.0231 0.0463
Brugia malayi RNA, U transporter 1 0.0099 0.1033 0.3402
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.1264 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0028 0.0105 0.0215
Loa Loa (eye worm) hypothetical protein 0.0053 0.0433 0.0918
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0061 0.0539 0.0591
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0117 0.1264 1
Brugia malayi PHD-finger family protein 0.0031 0.0147 0.0154
Schistosoma mansoni hypothetical protein 0.0035 0.0197 0.0075
Echinococcus multilocularis jumonji domain containing protein 0.0043 0.0304 0.0159
Mycobacterium ulcerans acyl-CoA synthetase 0.0028 0.0105 0.0215
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0199 0.0053
Schistosoma mansoni importin beta-1 0.0035 0.0199 0.0079
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0238 0.2833 0.6181
Schistosoma mansoni hypothetical protein 0.0372 0.4575 0.6677
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0199 0.1329
Loa Loa (eye worm) PHD-finger family protein 0.0031 0.0147 0.0291
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0101 0.1057 0.0924
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0231 0.0127
Loa Loa (eye worm) hypothetical protein 0.0028 0.0105 0.0198
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1264 0.3657
Brugia malayi Importin beta-1 subunit 0.0035 0.0199 0.0345
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0032 0.0157 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0109 0.1168 0.3896
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.0933 0.1186
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0061 0.0539 0.1277
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.0933 0.0798
Loa Loa (eye worm) hypothetical protein 0.0031 0.0147 0.0291
Mycobacterium ulcerans aldehyde dehydrogenase 0.0061 0.0539 0.1247
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0032 0.0157 1
Onchocerca volvulus 0.027 0.3259 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.019 0.0064
Brugia malayi jmjC domain containing protein 0.0101 0.1057 0.3491
Plasmodium vivax importin-beta 2, putative 0.0035 0.0199 0.0439
Entamoeba histolytica phosphofructokinase, putative 0.0117 0.1264 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0197 0.0399
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0028 0.0105 0.0215
Trichomonas vaginalis phosphofructokinase, putative 0.0117 0.1264 0.3657
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0061 0.0539 0.0398
Trichomonas vaginalis phosphofructokinase, putative 0.0032 0.0157 0.0137
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0032 0.0157 0.0447
Echinococcus granulosus GPCR family 2 0.0035 0.0197 0.0075
Plasmodium falciparum phd finger protein, putative 0.0031 0.0147 0.0315
Schistosoma mansoni aldehyde dehydrogenase 0.0061 0.0539 0.0591

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 10.5 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 20.7 uM PubChem BioAssay. Dose response confirmation of uHTS inhibitor hits from NadD in a Colorimetric assay - Set 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.0126 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) 29.0929 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) 44.6684 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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