Detailed information for compound 447064

Basic information

Technical information
  • TDR Targets ID: 447064
  • Name: [3-methyl-4-[[7-(1H-pyrazol-5-yl)-1H-pyrrolo[ 2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-p henylmethanone
  • MW: 450.513 | Formula: C22H22N6O3S
  • H donors: 2 H acceptors: 5 LogP: 1.48 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC1CN(CCN1S(=O)(=O)c1c[nH]c2c1ccnc2c1n[nH]cc1)C(=O)c1ccccc1
  • InChi: 1S/C22H22N6O3S/c1-15-14-27(22(29)16-5-3-2-4-6-16)11-12-28(15)32(30,31)19-13-24-20-17(19)7-9-23-21(20)18-8-10-25-26-18/h2-10,13,15,24H,11-12,14H2,1H3,(H,25,26)
  • InChiKey: BGBYYLQBZCCHMG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • [3-methyl-4-[[7-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenyl-methanone
  • [3-methyl-4-[[7-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]-1-piperazinyl]-phenylmethanone
  • [3-methyl-4-[[7-(1H-pyrazol-5-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]sulfonyl]piperazino]-phenyl-methanone
  • [3-methyl-4-[[7-(2H-pyrazol-3-yl)-1H-pyrrolo[5,4-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenylmethanone
  • [3-methyl-4-[[7-(2H-pyrazol-3-yl)-1H-pyrrolo[5,4-c]pyridin-3-yl]sulfonyl]piperazin-1-yl]-phenyl-methanone
  • [3-methyl-4-[[7-(2H-pyrazol-3-yl)-1H-pyrrolo[5,4-c]pyridin-3-yl]sulfonyl]-1-piperazinyl]-phenylmethanone

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
Echinococcus granulosus eukaryotic initiation factor 4A 0.0024 0.0145 0.0478
Echinococcus multilocularis cpg binding protein 0.0029 0.0204 0.0671
Loa Loa (eye worm) hypothetical protein 0.0185 0.1846 0.606
Loa Loa (eye worm) hypothetical protein 0.0137 0.1337 0.4389
Plasmodium falciparum plasmepsin VII 0.0097 0.092 0.256
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0013 0.0029 0.0094
Onchocerca volvulus 0.007 0.0636 0.2589
Brugia malayi hypothetical protein 0.0121 0.1169 0.4881
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0293 0.09
Brugia malayi Inositol-1 0.0038 0.0293 0.1226
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0164 0.1626 0.5426
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.007 0.0636 0.3344
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0048 0.0404 0.0404
Plasmodium falciparum plasmepsin IV 0.0299 0.3046 0.8667
Plasmodium falciparum plasmepsin IX 0.0343 0.351 1
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.0045 0.037 0.037
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0164 0.1626 0.1626
Loa Loa (eye worm) hypothetical protein 0.014 0.1371 0.45
Plasmodium falciparum thioredoxin reductase 0.0037 0.028 0.0724
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.028 0.0547
Echinococcus multilocularis endothelin converting enzyme 1 0.0185 0.1846 0.606
Loa Loa (eye worm) aspartyl protease 6 0.0097 0.092 0.302
Schistosoma mansoni cpg binding protein 0.0029 0.0204 0.0204
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0083 0.0774 0.1621
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0636 0.2014
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0528 0.0528
Leishmania major eukaryotic initiation factor 4a, putative 0.0024 0.0145 0.0397
Loa Loa (eye worm) hypothetical protein 0.0092 0.0861 0.2828
Loa Loa (eye worm) hypothetical protein 0.0299 0.3046 1
Mycobacterium leprae probable zinc metalloprotease 0.0185 0.1846 1
Onchocerca volvulus Huntingtin homolog 0.0121 0.1169 0.4755
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0031 0.0223 0.0734
Echinococcus multilocularis beta LACTamase domain containing family member 0.007 0.0636 0.2089
Mycobacterium tuberculosis Probable reductase 0.0083 0.0774 0.1621
Loa Loa (eye worm) hypothetical protein 0.014 0.1371 0.45
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0093 0.0879 0.0879
Brugia malayi beta-lactamase family protein 0.007 0.0636 0.2657
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0031 0.0223 0.0223
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0286 0.0938
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.007 0.0636 0.132
Brugia malayi peptidase family M13 containing protein 0.0045 0.037 0.1546
Trichomonas vaginalis esterase, putative 0.007 0.0636 0.2014
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.1352 0.4494
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0013 0.0029 0.0094
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.0872 0.1834
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0045 0.037 0.037
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0013 0.0029 0.0119
Loa Loa (eye worm) peptidase family M13 containing protein 0.0137 0.1337 0.4389
Onchocerca volvulus Huntingtin homolog 0.0121 0.1169 0.4755
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.1317 0.1317
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.028 0.0856
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.1317 0.1317
Loa Loa (eye worm) hypothetical protein 0.0121 0.1169 0.3837
Trichomonas vaginalis inositol monophosphatase, putative 0.0038 0.0293 0.0878
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0097 0.092 0.092
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0024 0.0145 0.0478
Loa Loa (eye worm) hypothetical protein 0.0097 0.092 0.302
Schistosoma mansoni hypothetical protein 0.0048 0.0404 0.0404
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0164 0.1626 0.5339
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0135 0.1317 0.1317
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0041 0.0328 0.1016
Loa Loa (eye worm) peptidase family M13 containing protein 0.0137 0.1337 0.4389
Trichomonas vaginalis set domain proteins, putative 0.0243 0.2457 0.805
Onchocerca volvulus 0.007 0.0636 0.2589
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0083 0.0774 0.1621
Echinococcus granulosus histone lysine methyltransferase setb 0.0031 0.0223 0.0734
Loa Loa (eye worm) hypothetical protein 0.0137 0.1337 0.4389
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0636 0.2064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.1317 0.4324
Loa Loa (eye worm) hypothetical protein 0.007 0.0636 0.2089
Brugia malayi Thioredoxin reductase 0.0037 0.028 0.1171
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0205 0.0674
Brugia malayi follicle stimulating hormone receptor 0.0237 0.2394 1
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.028 0.0724
Trypanosoma brucei trypanothione reductase 0.0037 0.028 0.0856
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0461 0.1243
Onchocerca volvulus 0.0031 0.0223 0.0909
Schistosoma mansoni neprilysin 0.0048 0.0404 0.0404
Brugia malayi hypothetical protein 0.0097 0.092 0.3842
Toxoplasma gondii aspartyl protease 0.0097 0.092 0.256
Mycobacterium ulcerans esterase/lipase LipP 0.007 0.0636 0.3344
Loa Loa (eye worm) inositol-1 0.0038 0.0293 0.0964
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0024 0.0145 0.0336
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0024 0.0145 1
Schistosoma mansoni cpg binding protein 0.0029 0.0204 0.0204
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0179 0.0431
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0024 0.0145 0.0478
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0045 0.037 0.037
Loa Loa (eye worm) hypothetical protein 0.0027 0.0179 0.0587
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0449 0.463 1
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0031 0.0223 0.056
Plasmodium falciparum plasmepsin VI 0.0299 0.3046 0.8667
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0164 0.1626 1
Plasmodium vivax aspartyl protease, putative 0.0343 0.351 1
Brugia malayi CXXC zinc finger family protein 0.0028 0.0188 0.0784
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0636 0.2014
Toxoplasma gondii aspartyl protease ASP1 0.0299 0.3046 0.8667
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0093 0.0879 0.0879
Brugia malayi eukaryotic initiation factor 4A 0.0024 0.0145 0.0608
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0024 0.0145 0.0388
Leishmania major trypanothione reductase 0.0037 0.028 0.0856
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0299 0.3046 1
Plasmodium vivax aspartyl protease, putative 0.0097 0.092 0.256
Brugia malayi glutathione reductase 0.0037 0.028 0.1171
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0293 0.0878
Plasmodium falciparum plasmepsin X 0.0343 0.351 1
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0185 0.1846 0.7709
Echinococcus granulosus geminin 0.0169 0.1674 0.5496
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.1317 0.4324
Leishmania major mitochondrial DNA polymerase beta 0.0292 0.2973 1
Brugia malayi Peptidase family M13 containing protein 0.0185 0.1846 0.7709
Plasmodium vivax aspartyl protease, putative 0.0343 0.351 1
Schistosoma mansoni hypothetical protein 0.0169 0.1674 0.1674
Mycobacterium tuberculosis Probable esterase LipL 0.007 0.0636 0.132
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0213 0.2147 0.705
Brugia malayi Pre-SET motif family protein 0.0213 0.2147 0.8968
Plasmodium vivax hypothetical protein, conserved 0.007 0.0636 0.1746
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0293 0.09
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0097 0.092 0.092
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.007 0.0636 0.2657
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0223 0.0223
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0038 0.0293 0.1
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0185 0.1846 0.3949
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0223 0.0223
Plasmodium vivax plasmepsin V, putative 0.0097 0.092 0.256
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0024 0.0145 0.0592
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0286 0.0938
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0083 0.0774 0.3278
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0024 0.0145 0.0145
Toxoplasma gondii aspartyl protease ASP3 0.0343 0.351 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.028 0.0921
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0164 0.1626 0.5426
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0164 0.1626 0.5295
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0164 0.1626 0.4589
Onchocerca volvulus 0.0097 0.092 0.3743
Loa Loa (eye worm) hypothetical protein 0.007 0.0636 0.2089
Plasmodium falciparum plasmepsin I 0.0299 0.3046 0.8667
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0038 0.0293 0.0761
Schistosoma mansoni hypothetical protein 0.0169 0.1674 0.1674
Brugia malayi hypothetical protein 0.0027 0.0179 0.0746
Toxoplasma gondii ABC1 family protein 0.007 0.0636 0.1746
Mycobacterium ulcerans hypothetical protein 0.0154 0.1516 0.8186
Loa Loa (eye worm) hypothetical protein 0.014 0.1371 0.45
Plasmodium falciparum eukaryotic initiation factor 4A 0.0024 0.0145 0.0336
Mycobacterium ulcerans zinc metalloprotease 0.0185 0.1846 1
Loa Loa (eye worm) hypothetical protein 0.0185 0.1846 0.606
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0083 0.0774 0.1621
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0328 0.1016
Plasmodium falciparum plasmepsin II 0.0299 0.3046 0.8667
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0179 0.051
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0164 0.1626 0.6792
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0083 0.0774 0.1621
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.007 0.0636 0.2089
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0138 0.1352 0.4494
Echinococcus granulosus beta LACTamase domain containing family member 0.007 0.0636 0.2089
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0636 0.2014
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0097 0.092 0.092
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0293 0.09
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0188 0.0616
Plasmodium falciparum plasmepsin III 0.0097 0.092 0.256
Schistosoma mansoni hypothetical protein 0.0048 0.0404 0.0404
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0164 0.1626 0.4589
Schistosoma mansoni endothelin-converting enzyme-related 0.0045 0.037 0.037
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0135 0.1317 0.4324
Echinococcus multilocularis inositol monophosphatase 1 0.0038 0.0293 0.0964
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0038 0.0293 0.09
Loa Loa (eye worm) hypothetical protein 0.007 0.0636 0.2089
Mycobacterium tuberculosis Probable conserved lipoprotein 0.007 0.0636 0.132
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0031 0.0223 0.0734
Loa Loa (eye worm) hypothetical protein 0.014 0.1371 0.45
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0164 0.1626 0.5339
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0097 0.092 0.092
Mycobacterium ulcerans lipase LipD 0.007 0.0636 0.3344
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0013 0.0029 0.0029
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0237 0.2394 0.7861
Toxoplasma gondii hypothetical protein 0.0047 0.0391 0.1042
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0164 0.1626 0.4589
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0097 0.092 0.092
Onchocerca volvulus 0.0028 0.0188 0.0763
Mycobacterium tuberculosis Conserved protein 0.007 0.0636 0.132
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.007 0.0636 0.132
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0038 0.0293 0.1458
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0097 0.092 0.092
Loa Loa (eye worm) hypothetical protein 0.0137 0.1337 0.4389
Plasmodium vivax SET domain protein, putative 0.0031 0.0223 0.056
Mycobacterium tuberculosis Probable dehydrogenase 0.0083 0.0774 0.1621
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0024 0.0145 0.0145
Brugia malayi aspartic protease BmAsp-1, identical 0.0097 0.092 0.3842
Loa Loa (eye worm) beta-lactamase 0.007 0.0636 0.2089
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0045 0.037 0.037
Mycobacterium tuberculosis Conserved protein 0.007 0.0636 0.132
Brugia malayi beta-lactamase 0.007 0.0636 0.2657
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0164 0.1626 0.5426
Plasmodium vivax RNA helicase-1, putative 0.0024 0.0145 0.0336
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0024 0.0145 0.0254
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0034 0.0252 0.0485
Onchocerca volvulus 0.0243 0.2457 1
Plasmodium vivax aspartyl proteinase, putative 0.0299 0.3046 0.8667
Brugia malayi aspartic protease BmAsp-2, identical 0.0097 0.092 0.3842
Treponema pallidum ATP-dependent RNA helicase 0.0024 0.0145 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0012 0.0022 0.0073
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0097 0.092 0.092
Loa Loa (eye worm) hypothetical protein 0.0097 0.092 0.302
Echinococcus granulosus endothelin converting enzyme 1 0.0185 0.1846 0.606
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0164 0.1626 0.5339
Loa Loa (eye worm) hypothetical protein 0.0031 0.0223 0.0734
Schistosoma mansoni hypothetical protein 0.0048 0.0404 0.0404
Mycobacterium tuberculosis Conserved protein 0.007 0.0636 0.132
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0299 0.3046 1
Plasmodium falciparum plasmepsin V 0.0097 0.092 0.256
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0179 0.0431
Trypanosoma brucei hypothetical protein, conserved 0.007 0.0636 0.2064
Loa Loa (eye worm) hypothetical protein 0.0185 0.1846 0.606
Mycobacterium tuberculosis Probable lipase LipD 0.007 0.0636 0.132
Leishmania major hypothetical protein, conserved 0.007 0.0636 0.2064
Brugia malayi hypothetical protein 0.0017 0.0078 0.0326
Plasmodium vivax plasmepsin IV, putative 0.0299 0.3046 0.8667
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.0872 0.1834
Echinococcus granulosus cpg binding protein 0.0029 0.0204 0.0671
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0093 0.0879 0.0879
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0299 0.3046 1
Trypanosoma cruzi hypothetical protein, conserved 0.007 0.0636 0.2064
Toxoplasma gondii thioredoxin reductase 0.0037 0.028 0.0724
Schistosoma mansoni memapsin-2 (A01 family) 0.0097 0.092 0.092
Mycobacterium leprae Probable lipase LipE 0.007 0.0636 0.2412
Mycobacterium tuberculosis Probable hydrolase 0.007 0.0636 0.132
Loa Loa (eye worm) hypothetical protein 0.007 0.0636 0.2089
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0024 0.0145 0.0388
Toxoplasma gondii peptidase family M13 protein 0.0185 0.1846 0.522
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0097 0.092 0.092
Brugia malayi Pepsin A precursor 0.0097 0.092 0.3842
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.0872 0.3894
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0164 0.1626 0.6792
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0299 0.3046 1
Leishmania major hypothetical protein, conserved 0.0027 0.0179 0.051
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0299 0.3046 0.8667
Schistosoma mansoni hypothetical protein 0.0048 0.0404 0.0404
Onchocerca volvulus 0.0092 0.0861 0.3506
Loa Loa (eye worm) glutathione reductase 0.0037 0.028 0.0921
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0299 0.3046 0.3046
Loa Loa (eye worm) hypothetical protein 0.0121 0.1169 0.3837
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0179 0.0431
Trichomonas vaginalis penicillin-binding protein, putative 0.007 0.0636 0.2014
Mycobacterium tuberculosis Probable lipase LipE 0.007 0.0636 0.132
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0164 0.1626 0.5426
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0041 0.0328 0.1016
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0292 0.2973 1
Mycobacterium ulcerans beta-lactamase 0.007 0.0636 0.3344
Mycobacterium leprae conserved hypothetical protein 0.007 0.0636 0.2412
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0041 0.0328 0.1016
Schistosoma mansoni hypothetical protein 0.0048 0.0404 0.0404
Onchocerca volvulus 0.007 0.0636 0.2589
Onchocerca volvulus 0.0097 0.092 0.3743
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0636 0.0636
Loa Loa (eye worm) zinc metallopeptidase 4 0.0045 0.037 0.1215
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0013 0.0029 0.5
Loa Loa (eye worm) hypothetical protein 0.0024 0.0145 0.0478
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0179 0.051
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0179 0.0431
Schistosoma mansoni inositol monophosphatase 0.0038 0.0293 0.0293
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0024 0.0145 0.0478
Brugia malayi hypothetical protein 0.0097 0.092 0.3842
Mycobacterium ulcerans hypothetical protein 0.007 0.0636 0.3344
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0164 0.1626 0.5339
Plasmodium falciparum plasmepsin VIII, putative 0.0097 0.092 0.256
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0135 0.1317 0.55
Brugia malayi Pre-SET motif family protein 0.0031 0.0223 0.0933
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0164 0.1626 0.5295
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0135 0.1317 0.4324
Brugia malayi beta-lactamase family protein 0.007 0.0636 0.2657
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0097 0.092 0.302
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0135 0.1317 0.4324
Plasmodium vivax aspartyl proteinase, putative 0.0097 0.092 0.256
Schistosoma mansoni inositol monophosphatase 0.0038 0.0293 0.0293
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.005 0.0422 0.1338
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0138 0.1352 0.4494
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0024 0.0145 0.0397
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0185 0.1846 0.1846
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0024 0.0145 0.0388
Schistosoma mansoni neprilysin-2 (M13 family) 0.0093 0.0879 0.0879
Echinococcus granulosus inositol monophosphatase 1 0.0038 0.0293 0.0964
Schistosoma mansoni hypothetical protein 0.0048 0.0404 0.0404
Plasmodium vivax glutathione reductase, putative 0.0037 0.028 0.0724
Plasmodium falciparum glutathione reductase 0.0037 0.028 0.0724
Loa Loa (eye worm) hypothetical protein 0.0137 0.1337 0.4389
Loa Loa (eye worm) hypothetical protein 0.014 0.1371 0.45
Loa Loa (eye worm) hypothetical protein 0.007 0.0636 0.2089
Brugia malayi Eukaryotic aspartyl protease family protein 0.0097 0.092 0.3842
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0024 0.0145 0.0397
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0097 0.092 0.256
Loa Loa (eye worm) hypothetical protein 0.007 0.0636 0.2089
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.007 0.0636 0.0636
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0024 0.0145 0.0397
Leishmania major eukaryotic initiation factor 4a, putative 0.0024 0.0145 0.0397
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0093 0.0879 0.0879
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.0872 0.1834
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0045 0.037 0.037
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0012 0.0022 0.0073
Mycobacterium tuberculosis Conserved hypothetical protein 0.0154 0.1516 0.3233
Echinococcus multilocularis geminin 0.0169 0.1674 0.5496
Loa Loa (eye worm) hypothetical protein 0.014 0.1371 0.45
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.2973 1
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0038 0.0293 0.0878
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0179 0.051
Schistosoma mansoni cpg binding protein 0.0028 0.0188 0.0188
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0038 0.0293 1
Schistosoma mansoni hypothetical protein 0.0012 0.0022 0.0022
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0292 0.2973 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0031 0.0223 0.0223
Schistosoma mansoni cathepsin D (A01 family) 0.0958 1 1
Trichomonas vaginalis D-aminoacylase, putative 0.007 0.0636 0.2014

Activities

Activity type Activity value Assay description Source Reference
CC50 (ADMET) > 40000 nM Cytotoxicity against human U87 cells expressing CD4 and CXCR4 ChEMBL. 18052117
IC50 (functional) = 140 nM Antiviral activity against HIV1 pseudovirus in U87 cells expressing CD4 and CCR5 after 72 hrs by M33 pseudotyped assay ChEMBL. 18052117

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

1 literature reference was collected for this gene.

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