Detailed information for compound 181051

Basic information

Technical information
  • TDR Targets ID: 181051
  • Name: 136723-28-9
  • MW: 272.342 | Formula: C16H20N2O2
  • H donors: 2 H acceptors: 2 LogP: 1.71 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=C)CN1Cc2cccc3c2C(CC1C)(O)C(=O)N3
  • InChi: 1S/C16H20N2O2/c1-10(2)8-18-9-12-5-4-6-13-14(12)16(20,7-11(18)3)15(19)17-13/h4-6,11,20H,1,7-9H2,2-3H3,(H,17,19)
  • InChiKey: HHFCEHFUHAQKOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • AIDS003562
  • (+-)-3,4,5,6-Tetrahydro-2a-hydroxy-4-methyl-5-(2-methyl-2-propenyl)-2aH-azepino[5,4,3-cd]indol-2(1H)-one Monohydrochloride Ethanolate
  • 2H-Azepino[5,4,3-cd]indol-2-one, 1,2a,3,4,5,6-hexahydro-2a-hydroxy-4-methyl-5-(2-methyl-2-propenyl)-, monohydrochloride
  • AIDS-003562
  • (+-)-3,4,5,6-Tetrahydro-2a-hydroxy-4-methyl-5-(2-methyl-2-propenyl)-2aH-azepino(5,4,3-cd)indol-2(1H)-one Monohydrochloride Ethanolate
  • 2H-Azepino(5,4,3-cd)indol-2-one, 1,2a,3,4,5,6-hexahydro-2a-hydroxy-4-methyl-5-(2-methyl-2-propenyl)-, monohydrochloride

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Onchocerca volvulus 0.0022 0.0105 0.026
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0022 0.0097 0.0203
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0035 0.0291 0.0605
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0097 0.0784
Loa Loa (eye worm) hypothetical protein 0.0022 0.0105 0.0219
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.0465 0.2087
Echinococcus granulosus 6 phosphofructokinase 0.0114 0.1399 0.1396
Leishmania major importin beta-1 subunit, putative 0.0027 0.0172 0.0425
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0206 0.2709 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0562 0.0559
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0105 0.026
Mycobacterium ulcerans 6-phosphofructokinase 0.0114 0.1399 0.6882
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0105 0.0102
Brugia malayi intermediate filament protein 0.0031 0.023 0.0569
Echinococcus multilocularis lamin dm0 0.0031 0.023 0.0227
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0301 0.4052 1
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0105 0.0102
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.1399 0.2911
Echinococcus granulosus Excitatory amino acid transporter 0.0206 0.2709 0.2707
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.4327 1
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.1399 0.3234
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0105 0.0102
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0352 0.0814
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0105 0.0219
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0114 0.1399 0.3453
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0097 0.0225
Echinococcus multilocularis neutral amino acid transporter A 0.0206 0.2709 0.2707
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0206 0.2709 0.2707
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0035 0.0291 0.0288
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0022 0.0097 0.0092
Loa Loa (eye worm) hypothetical protein 0.0022 0.0105 0.0219
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0105 0.0061
Echinococcus granulosus dna polymerase kappa 0.0035 0.0291 0.0288
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0562 0.1168
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0058 0.0055
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0438 0.0435
Echinococcus multilocularis dna polymerase eta 0.0035 0.0291 0.0288
Brugia malayi exodeoxyribonuclease III family protein 0.0022 0.0097 0.0241
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0438 0.0395
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0124 0.1549 0.5622
Leishmania major GTP-binding protein, putative 0.0024 0.0137 0.0338
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0105 0.0102
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.1399 0.3234
Echinococcus granulosus importin subunit beta 1 0.0033 0.0261 0.0258
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0277 0.0274
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0066 0.0726 0.1791
Toxoplasma gondii aldehyde dehydrogenase 0.0048 0.0465 0.8079
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0105 0.0102
Brugia malayi glutathione reductase 0.0055 0.0562 0.1386
Brugia malayi Importin beta-1 subunit 0.0033 0.0261 0.0644
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0261 0.0644
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0352 0.0869
Brugia malayi MH2 domain containing protein 0.0263 0.3505 0.8651
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0179 0.2319 0.4825
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0058 0.0134
Trypanosoma brucei unspecified product 0.0024 0.0136 0.0335
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0157 0.2007 0.735
Brugia malayi Thioredoxin reductase 0.0055 0.0562 0.1386
Schistosoma mansoni serine/threonine protein kinase 0.0301 0.4052 0.4025
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0031 0.0225 0.0392
Leishmania major DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Echinococcus multilocularis Excitatory amino acid transporter 0.0206 0.2709 0.2707
Echinococcus multilocularis neutral amino acid transporter A 0.0206 0.2709 0.2707
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0058 0.0143
Brugia malayi Glycosyl hydrolases family 31 protein 0.004 0.0352 0.0869
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0092 0.1085 0.1045
Echinococcus granulosus neutral alpha glucosidase AB 0.004 0.0352 0.0349
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0124 0.1549 0.5622
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0114 0.1399 0.3142
Loa Loa (eye worm) hypothetical protein 0.0022 0.0105 0.0219
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0058 0.0055
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0105 0.0219
Plasmodium vivax importin-beta 2, putative 0.0033 0.0261 0.4029
Schistosoma mansoni lamin 0.0031 0.023 0.0187
Trypanosoma cruzi DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Mycobacterium tuberculosis Probable oxidoreductase 0.0138 0.1745 0.6362
Onchocerca volvulus 0.0031 0.023 0.0569
Trypanosoma cruzi DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0035 0.0291 0.0717
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0726 0.3427
Loa Loa (eye worm) MH1 domain-containing protein 0.0018 0.0044 0.0092
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0058 0.0143
Treponema pallidum glutamate/aspartate transporter 0.0092 0.1085 0.2405
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0105 0.0102
Trichomonas vaginalis CAMK family protein kinase 0.0149 0.19 0.4392
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0105 0.0061
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0114 0.1399 0.3453
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0066 0.0726 0.3427
Mycobacterium tuberculosis Probable reductase 0.0124 0.1549 0.5622
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0145 0.1842 0.184
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0105 0.026
Trypanosoma brucei DNA polymerase kappa, putative 0.0024 0.0136 0.0335
Echinococcus multilocularis lamin 0.0031 0.023 0.0227
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0157 0.2007 1
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0352 0.0814
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0048 0.0465 0.1147
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0105 0.0219
Loa Loa (eye worm) transcription factor SMAD2 0.0263 0.3505 0.7292
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.2319 0.2317
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0137 0.0338
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0172 0.0398
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.4327 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0301 0.4052 0.9365
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0277 0.0234
Echinococcus granulosus dna polymerase eta 0.0035 0.0291 0.0288
Plasmodium falciparum importin beta, putative 0.0033 0.0261 0.4029
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0114 0.1399 0.5058
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0225 0.0521
Loa Loa (eye worm) excitatory amino acid transporter 0.0206 0.2709 0.5636
Onchocerca volvulus 0.0031 0.023 0.0569
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0105 0.0061
Echinococcus granulosus neutral amino acid transporter A 0.0206 0.2709 0.2707
Trichomonas vaginalis ran, putative 0.0024 0.0137 0.0316
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0022 0.0105 0.026
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0105 0.0102
Schistosoma mansoni hypothetical protein 0.0355 0.4807 0.4784
Loa Loa (eye worm) hypothetical protein 0.0022 0.0105 0.0219
Brugia malayi MH2 domain containing protein 0.0018 0.0044 0.0109
Loa Loa (eye worm) hypothetical protein 0.0034 0.0277 0.0577
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0105 0.0061
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0291 0.0717
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0206 0.2709 1
Echinococcus multilocularis muscleblind protein 0.0117 0.1449 0.1446
Echinococcus multilocularis snurportin 1 0.0355 0.4807 0.4805
Trypanosoma brucei trypanothione reductase 0.0055 0.0562 0.1386
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0105 0.0061
Echinococcus multilocularis neutral amino acid transporter A 0.0206 0.2709 0.2707
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0066 0.0726 0.2519
Brugia malayi nuclear hormone receptor 0.0022 0.0105 0.026
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0018 0.0044 0.0041
Echinococcus granulosus Smad4 0.0018 0.0044 0.0041
Trypanosoma brucei DNA polymerase eta, putative 0.0035 0.0291 0.0717
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0105 0.0102
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0352 0.0814
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0066 0.0726 0.0723
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0225 0.0521
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0048 0.0465 0.1534
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0124 0.1549 0.5622
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0105 0.0102
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0046 0.0438 0.108
Schistosoma mansoni ap endonuclease 0.0022 0.0097 0.0054
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0105 0.0102
Echinococcus granulosus neutral amino acid transporter 0.0206 0.2709 0.2707
Giardia lamblia DINP protein human, muc B family 0.0035 0.0291 0.0545
Brugia malayi RNA, U transporter 1 0.0095 0.1127 0.2782
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0046 0.0438 0.0435
Onchocerca volvulus 0.0273 0.3651 0.9011
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.024 0.3182 0.662
Brugia malayi nuclear receptor NHR-88 0.0022 0.0105 0.026
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0048 0.0465 0.0462
Loa Loa (eye worm) hypothetical protein 0.0015 0.0003 0.0006
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0035 0.0291 0.0672
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0058 0.0143
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.004 0.0352 0.584
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0022 0.0097 0.0094
Brugia malayi MH2 domain containing protein 0.0018 0.0044 0.0109
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0225 0.3325
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.023 0.0479
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0092 0.1085 0.1082
Schistosoma mansoni aldehyde dehydrogenase 0.0048 0.0465 0.0423
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0124 0.1549 0.5622
Brugia malayi Pre-SET motif family protein 0.0034 0.0277 0.0685
Brugia malayi Pre-SET motif family protein 0.024 0.3182 0.7854
Trypanosoma cruzi polo-like protein kinase, putative 0.0301 0.4052 1
Echinococcus granulosus smad 0.0018 0.0044 0.0041
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0277 0.0274
Onchocerca volvulus 0.0034 0.0277 0.0685
Leishmania major trypanothione reductase 0.0055 0.0562 0.1386
Loa Loa (eye worm) hypothetical protein 0.0022 0.0105 0.0219
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0058 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Schistosoma mansoni lamin 0.0031 0.023 0.0187
Loa Loa (eye worm) hypothetical protein 0.0022 0.0105 0.0219
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0022 0.0097 0.0094
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0291 0.0717
Toxoplasma gondii thioredoxin reductase 0.0055 0.0562 1
Echinococcus granulosus intermediate filament protein 0.0031 0.023 0.0227
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0035 0.0291 0.0877
Plasmodium falciparum thioredoxin reductase 0.0055 0.0562 1
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0022 0.0097 0.0149
Leishmania major ATP-dependent phosphofructokinase 0.0114 0.1399 0.3453
Echinococcus granulosus lamin 0.0031 0.023 0.0227
Brugia malayi phosphofructokinase 0.0114 0.1399 0.3453
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0062 0.0663 0.1379
Brugia malayi 6-phosphofructokinase 0.0114 0.1399 0.3453
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0352 0.0814
Brugia malayi 6-phosphofructokinase 0.0114 0.1399 0.3453
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.4327 1
Toxoplasma gondii phosphofructokinase PFKII 0.0031 0.0225 0.3325
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.023 0.0569
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0225 0.3325
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0058 0.0143
Toxoplasma gondii HEAT repeat-containing protein 0.0033 0.0261 0.4029
Trichomonas vaginalis ap endonuclease, putative 0.0022 0.0097 0.0225
Brugia malayi Glycosyl hydrolases family 31 protein 0.0179 0.2319 0.5724
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0058 0.0143
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0058 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0105 0.026
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0105 0.026
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0206 0.2709 0.6687
Entamoeba histolytica deoxycytidyl transferase, putative 0.0035 0.0291 0.0672
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0105 0.0061
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0225 0.0521
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0562 0.1899
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0124 0.1549 0.2461
Trypanosoma brucei DNA polymerase kappa, putative 0.0024 0.0136 0.0335
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Schistosoma mansoni intermediate filament proteins 0.0031 0.023 0.0187
Echinococcus multilocularis microtubule associated protein 2 0.0722 1 1
Echinococcus granulosus excitatory amino acid transporter 2 0.0206 0.2709 0.2707
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0105 0.0219
Echinococcus granulosus mothers against decapentaplegic 5 0.0018 0.0044 0.0041
Loa Loa (eye worm) hypothetical protein 0.0033 0.0261 0.0543
Echinococcus multilocularis thyroid hormone receptor alpha 0.0167 0.2157 0.2154
Echinococcus multilocularis musashi 0.0031 0.023 0.0227
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0058 0.0143
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0438 0.0395
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0105 0.026
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0058 0.0143
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0277 0.0234
Onchocerca volvulus Serine\/threonine kinase homolog 0.0301 0.4052 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0352 0.0814
Onchocerca volvulus Bile acid receptor homolog 0.0022 0.0105 0.026
Loa Loa (eye worm) hypothetical protein 0.0031 0.023 0.0479
Trypanosoma brucei polo-like protein kinase 0.0301 0.4052 1
Schistosoma mansoni thyroid hormone receptor 0.0167 0.2157 0.2122
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0022 0.0097 0.0202
Trypanosoma cruzi DNA polymerase eta, putative 0.0035 0.0291 0.0717
Brugia malayi ImpB/MucB/SamB family protein 0.0035 0.0291 0.0717
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0105 0.026
Trypanosoma brucei DNA polymerase kappa, putative 0.0024 0.0136 0.0335
Loa Loa (eye worm) hypothetical protein 0.0022 0.0105 0.0219
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0206 0.2709 0.2707
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0352 0.0814
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0438 0.0435
Loa Loa (eye worm) glutathione reductase 0.0055 0.0562 0.1168
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0024 0.0137 0.0338
Brugia malayi ImpB/MucB/SamB family protein 0.0035 0.0291 0.0717
Echinococcus multilocularis mothers against decapentaplegic 5 0.0018 0.0044 0.0041
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0301 0.4052 0.405
Trypanosoma brucei DNA polymerase IV, putative 0.0035 0.0291 0.0717
Schistosoma mansoni aldehyde dehydrogenase 0.0048 0.0465 0.0423
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0105 0.0102
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0105 0.0102
Echinococcus multilocularis excitatory amino acid transporter 3 0.0206 0.2709 0.2707
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0035 0.0291 0.0248
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0024 0.0137 0.0338
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0562 0.1386
Echinococcus multilocularis geminin 0.0195 0.2552 0.255
Schistosoma mansoni kinase 0.0153 0.1956 0.1921
Loa Loa (eye worm) hypothetical protein 0.0031 0.0222 0.0463
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0092 0.1085 0.1082
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.4327 1
Schistosoma mansoni terminal deoxycytidyl transferase 0.0035 0.0291 0.0248
Toxoplasma gondii 6-phosphofructokinase 0.0031 0.0225 0.3325
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0022 0.0097 0.0784
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0355 0.4807 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0035 0.0291 0.0288
Treponema pallidum fructose-bisphosphate aldolase 0.0321 0.4327 1
Echinococcus multilocularis excitatory amino acid transporter 2 0.0206 0.2709 0.2707
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.1399 0.3234
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.1399 0.3234
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0024 0.0137 0.1565
Giardia lamblia Kinase, PLK 0.0301 0.4052 0.9356
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0225 0.0632
Loa Loa (eye worm) phosphofructokinase 0.0114 0.1399 0.2911
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0046 0.0438 0.091
Schistosoma mansoni coup transcription factor 0.0022 0.0105 0.0061
Brugia malayi steroid hormone receptor 0.0022 0.0105 0.026
Loa Loa (eye worm) MH2 domain-containing protein 0.0263 0.3505 0.7292
Echinococcus granulosus excitatory amino acid transporter 2 0.0206 0.2709 0.2707
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0105 0.0219
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0024 0.0137 0.1565
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0022 0.0097 0.0241
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0031 0.0225 0.3325
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0138 0.1745 0.5689
Loa Loa (eye worm) hypothetical protein 0.0035 0.0291 0.0605
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0022 0.0097 0.0225
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0046 0.0438 0.0395
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0031 0.0225 0.3325
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.1399 0.1361
Mycobacterium ulcerans DNA polymerase IV 0.0035 0.0291 0.1194
Echinococcus multilocularis Smad4 0.0018 0.0044 0.0041
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0225 0.0521
Loa Loa (eye worm) hypothetical protein 0.0117 0.1449 0.3013
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0058 0.0134
Loa Loa (eye worm) hypothetical protein 0.0117 0.1449 0.3013
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0066 0.0726 0.0723
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0058 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0105 0.026
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.1399 0.3234
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0145 0.1842 0.184
Trichomonas vaginalis phosphofructokinase, putative 0.0114 0.1399 0.3234
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0105 0.0102
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.4327 1
Leishmania major alpha glucosidase II subunit, putative 0.004 0.0352 0.0869
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.0465 0.2087
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0105 0.0102
Schistosoma mansoni DNA polymerase eta 0.0035 0.0291 0.0248
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0105 0.026
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.004 0.0352 0.0732
Trypanosoma brucei importin beta-1 subunit, putative 0.0033 0.0261 0.0644
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0024 0.0137 0.0338
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0031 0.0225 0.0521
Trichomonas vaginalis CAMK family protein kinase 0.0301 0.4052 0.9365
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0105 0.0061
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0138 0.1745 0.6362
Echinococcus granulosus geminin 0.0195 0.2552 0.255
Treponema pallidum exodeoxyribonuclease (exoA) 0.0022 0.0097 0.0092
Trichomonas vaginalis CAMK family protein kinase 0.0301 0.4052 0.9365
Loa Loa (eye worm) Smad1 0.0018 0.0044 0.0092
Brugia malayi Muscleblind-like protein 0.0117 0.1449 0.3575
Trypanosoma brucei unspecified product 0.0035 0.0291 0.0717
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.4327 1
Echinococcus granulosus lamin dm0 0.0031 0.023 0.0227
Brugia malayi photoreceptor-specific nuclear receptor 0.0022 0.0105 0.026
Trichomonas vaginalis maltase-glucoamylase, putative 0.004 0.0352 0.0814
Mycobacterium tuberculosis Conserved hypothetical protein 0.0035 0.0291 0.0877
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0024 0.0137 0.0185
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0105 0.0061
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0058 0.0143
Echinococcus multilocularis Excitatory amino acid transporter 0.0206 0.2709 0.2707
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0105 0.0102
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0058 0.0143
Echinococcus granulosus GTP binding nuclear protein Ran 0.0024 0.0137 0.0134
Mycobacterium ulcerans DNA polymerase IV 0.0035 0.0291 0.1194
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Treponema pallidum glutamate transporter 0.0092 0.1085 0.2405
Onchocerca volvulus 0.0103 0.1253 0.3093
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0301 0.4052 0.405
Trypanosoma cruzi importin beta-1 subunit, putative 0.0027 0.0172 0.0425
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0277 0.4358
Echinococcus multilocularis excitatory amino acid transporter 2 0.0206 0.2709 0.2707
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0105 0.0219
Brugia malayi MH1 domain containing protein 0.0018 0.0044 0.0109
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0321 0.4327 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0277 0.0234
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0058 0.0014
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0105 0.026
Chlamydia trachomatis neutral amino acid transporter 0.0092 0.1085 0.3872
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0027 0.0172 0.0398
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0022 0.0097 0.0241
Echinococcus multilocularis 6 phosphofructokinase 0.0114 0.1399 0.1396
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.4327 1
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0105 0.0061
Trichomonas vaginalis sucrase-isomaltase, putative 0.004 0.0352 0.0814
Loa Loa (eye worm) 6-phosphofructokinase 0.0114 0.1399 0.2911
Trypanosoma brucei unspecified product 0.0024 0.0136 0.0335
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0026 0.0065
Trichomonas vaginalis CAMK family protein kinase 0.0149 0.19 0.4392
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0277 0.0234
Echinococcus granulosus muscleblind protein 0.0117 0.1449 0.1446
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0562 1
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.026 0.0257
Entamoeba histolytica hypothetical protein 0.0027 0.0172 0.0398
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0105 0.0061
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0225 0.0521
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0066 0.0726 0.1791
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0048 0.0465 0.0462
Echinococcus multilocularis muscleblind protein 1 0.0117 0.1449 0.1446
Schistosoma mansoni alpha-glucosidase 0.0154 0.1967 0.1932
Schistosoma mansoni hypothetical protein 0.0145 0.1842 0.1806
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0105 0.0102
Onchocerca volvulus Protein ultraspiracle homolog 0.0022 0.0105 0.026
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0105 0.026
Schistosoma mansoni microtubule-associated protein tau 0.0722 1 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0105 0.0219
Echinococcus multilocularis lysosomal alpha glucosidase 0.0179 0.2319 0.2317
Schistosoma mansoni hypothetical protein 0.0195 0.2552 0.2519
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0157 0.2007 1
Plasmodium vivax glutathione reductase, putative 0.0055 0.0562 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0058 0.0143
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0321 0.4327 1
Echinococcus granulosus sodium:dicarboxylate symporter 0.0206 0.2709 0.2707
Echinococcus granulosus lysosomal alpha glucosidase 0.0179 0.2319 0.2317
Trichomonas vaginalis importin beta-1, putative 0.0027 0.0172 0.0398
Trichomonas vaginalis CAMK family protein kinase 0.0301 0.4052 0.9365
Trichomonas vaginalis CAMK family protein kinase 0.0301 0.4052 0.9365
Leishmania major DNA polymerase eta, putative 0.0035 0.0291 0.0717
Trichomonas vaginalis DNA polymerase eta, putative 0.0035 0.0291 0.0672
Trypanosoma cruzi DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0105 0.0102
Loa Loa (eye worm) intermediate filament protein 0.0031 0.023 0.0479
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0022 0.0097 0.0241
Trichomonas vaginalis CAMK family protein kinase 0.0301 0.4052 0.9365
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0066 0.0726 0.0685
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.004 0.0352 0.0814
Echinococcus granulosus snurportin 1 0.0355 0.4807 0.4805
Echinococcus multilocularis smad 0.0018 0.0044 0.0041
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0024 0.0137 0.0134
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0058 0.0143
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0031 0.0225 0.0392
Echinococcus granulosus TGF beta signal transducer SmadC 0.0018 0.0044 0.0041
Trichomonas vaginalis set domain proteins, putative 0.0273 0.3651 0.8438
Brugia malayi Smad1 0.0018 0.0044 0.0109
Entamoeba histolytica Ran family GTPase 0.0024 0.0137 0.0316
Loa Loa (eye worm) MH2 domain-containing protein 0.0018 0.0044 0.0092
Plasmodium vivax 6-phosphofructokinase, putative 0.0031 0.0225 0.3325
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0024 0.0137 0.1565
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0105 0.0219
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0105 0.0219
Brugia malayi ecdysteroid receptor 0.0022 0.0105 0.026
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0105 0.026
Brugia malayi serine/threonine-protein kinase plk-2 0.0301 0.4052 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0048 0.0465 0.2087
Trypanosoma brucei glucosidase, putative 0.004 0.0352 0.0869
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0058 0.0143
Mycobacterium tuberculosis Probable dehydrogenase 0.0124 0.1549 0.5622
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0321 0.4327 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0058 0.0143
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0301 0.4052 0.8429
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0031 0.0225 0.0521
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0046 0.0438 0.0435
Echinococcus multilocularis dna polymerase kappa 0.0035 0.0291 0.0288
Schistosoma mansoni thyroid hormone receptor 0.0167 0.2157 0.2122
Trichomonas vaginalis phosphofructokinase, putative 0.0031 0.0225 0.0521
Plasmodium falciparum glutathione reductase 0.0055 0.0562 1
Schistosoma mansoni importin beta-1 0.0033 0.0261 0.0218
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0138 0.1745 0.6362
Trichomonas vaginalis CAMK family protein kinase 0.0301 0.4052 0.9365
Chlamydia trachomatis glutamate symporter 0.0206 0.2709 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0024 0.0137 0.0285
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0206 0.2709 0.2677
Schistosoma mansoni ap endonuclease 0.0022 0.0097 0.0054
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0022 0.0097 0.0241
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0105 0.026
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0058 0.0143
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0026 0.0055
Trichomonas vaginalis CAMK family protein kinase 0.0301 0.4052 0.9365
Schistosoma mansoni ran 0.0024 0.0137 0.0093
Echinococcus multilocularis importin subunit beta 1 0.0033 0.0261 0.0258
Plasmodium vivax SET domain protein, putative 0.0034 0.0277 0.4358
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0105 0.026
Entamoeba histolytica phosphofructokinase, putative 0.0114 0.1399 0.3234
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0105 0.026
Brugia malayi MH1 domain containing protein 0.0018 0.0044 0.0109
Schistosoma mansoni alpha glucosidase 0.004 0.0352 0.0309
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0031 0.0225 0.0632
Brugia malayi Excitatory amino acid transporter 0.0206 0.2709 0.6687
Trypanosoma cruzi polo-like protein kinase, putative 0.0301 0.4052 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Schistosoma mansoni alpha-glucosidase 0.0154 0.1967 0.1932
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0105 0.026
Toxoplasma gondii exonuclease III APE 0.0022 0.0097 0.0784
Giardia lamblia Fructose-bisphosphate aldolase 0.0321 0.4327 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0058 0.0143
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0092 0.1085 0.1045
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.004 0.0352 0.0814
Trypanosoma cruzi DNA polymerase kappa, putative 0.0035 0.0291 0.0717
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0277 0.0274
Echinococcus multilocularis neutral alpha glucosidase AB 0.004 0.0352 0.0349
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0022 0.0097 0.0149
Schistosoma mansoni hypothetical protein 0.0195 0.2552 0.2519
Schistosoma mansoni 6-phosphofructokinase 0.0114 0.1399 0.1361
Echinococcus granulosus excitatory amino acid transporter 3 0.0206 0.2709 0.2707
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0352 0.0869
Echinococcus granulosus Excitatory amino acid transporter 0.0206 0.2709 0.2707
Schistosoma mansoni ran 0.0024 0.0137 0.0093
Echinococcus granulosus neutral amino acid transporter A 0.0206 0.2709 0.2707
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0562 0.0559
Trichomonas vaginalis alpha-glucosidase, putative 0.004 0.0352 0.0814

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 250 uM Ability of the compound to block replication of HIV-1 virus in mock infected MT-4 cells ChEMBL. 1956037
IC50 (functional) > 250 uM Ability of the compound to block replication of HIV-1 virus in mock infected MT-4 cells ChEMBL. 1956037

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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