Detailed information for compound 229831

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 522.656 | Formula: C29H34N2O5S
  • H donors: 2 H acceptors: 5 LogP: 6.07 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: N#Cc1ccc(cc1)S(=O)(=O)Nc1cccc(c1)C(C(C)(C)C)C1=C(O)OC2C(C1=O)CCCCCC2
  • InChi: 1S/C29H34N2O5S/c1-29(2,3)26(25-27(32)23-11-6-4-5-7-12-24(23)36-28(25)33)20-9-8-10-21(17-20)31-37(34,35)22-15-13-19(18-30)14-16-22/h8-10,13-17,23-24,26,31,33H,4-7,11-12H2,1-3H3
  • InChiKey: MXHFMCYCIQWRPT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Human immunodeficiency virus 1 Human immunodeficiency virus type 1 protease Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) Get druggable targets OG5_131408 All targets in OG5_131408
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Trypanosoma brucei variant surface glycoprotein (VSG), putative Human immunodeficiency virus type 1 protease   99 aa 80 aa 27.5 %
Mycobacterium leprae Hypothetical protein Human immunodeficiency virus type 1 protease   99 aa 86 aa 27.9 %
Candida albicans dethiobiotin synthetase Human immunodeficiency virus type 1 protease   99 aa 90 aa 22.2 %
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Entamoeba histolytica retroviral aspartyl protease domain-containing protein Human immunodeficiency virus type 1 protease   99 aa 103 aa 31.1 %
Giardia lamblia DNA-directed RNA polymerase subunit D Human immunodeficiency virus type 1 protease   99 aa 90 aa 27.8 %
Echinococcus multilocularis Chromobox protein 3 Human immunodeficiency virus type 1 protease   99 aa 95 aa 28.4 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Cytochrome P450 family protein 0.0019 0.0027 0.0095
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1528 0.5687 0.5684
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0108 0.0361 0.0354
Schistosoma mansoni retinoic acid receptor RXR 0.0019 0.0026 0.0019
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0026 0.009
Onchocerca volvulus 0.0108 0.0361 0.1289
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0108 0.0361 0.0354
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0122
Schistosoma mansoni ran 0.0023 0.004 0.0033
Plasmodium vivax metacaspase 1, putative 0.0032 0.0074 0.0163
Loa Loa (eye worm) hypothetical protein 0.0108 0.0361 0.1695
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Trichomonas vaginalis reverse transcriptase [C. elegans], putative 0.0061 0.0183 0.0552
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0074 0.0163
Loa Loa (eye worm) hypothetical protein 0.0108 0.0361 0.1695
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.004 0.0143
Echinococcus multilocularis RNA directed DNA polymerase 0.0061 0.0183 0.0664
Echinococcus multilocularis ecdysone induced protein 78C 0.0019 0.0026 0.0066
Wolbachia endosymbiont of Brugia malayi ribonuclease HI 0.0714 0.2634 0.5
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0064 0.0196 0.0713
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0108 0.0361 0.1343
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Echinococcus granulosus glycoprotein Antigen 5 0.0108 0.0361 0.1343
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0074 0.0132
Treponema pallidum ribonuclease H (rnhA) 0.0714 0.2634 0.5
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0074 0.0132
Schistosoma mansoni hypothetical protein 0.0016 0.0017 0.0009
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0019 0.0026 0.0122
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.004 0.0143
Trypanosoma cruzi hypothetical protein, conserved 0.0061 0.0183 0.0687
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0049 0.0033
Brugia malayi PHD-finger family protein 0.0018 0.0022 0.0075
Brugia malayi steroid hormone receptor 0.0019 0.0026 0.009
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0026 0.009
Schistosoma mansoni hypothetical protein 0.0022 0.0038 0.003
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0032 0.0076 0.028
Echinococcus multilocularis cpg binding protein 0.0021 0.0034 0.0095
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0019 0.0026 0.009
Echinococcus multilocularis microtubule associated protein 2 0.0444 0.1622 0.6145
Echinococcus granulosus importin subunit beta 1 0.0031 0.007 0.0234
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0074 0.0273
Loa Loa (eye worm) steroid hormone receptor 0.0019 0.0026 0.0122
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0032 0.0074 0.0067
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0041 0.0108 0.0379
Trypanosoma brucei retrotransposon hot spot protein 4 (RHS4), interrupted 0.0775 0.2862 0.286
Schistosoma mansoni hypothetical protein 0.0061 0.0183 0.0176
Echinococcus granulosus histone lysine methyltransferase setb 0.0043 0.0119 0.0419
Schistosoma mansoni hypothetical protein 0.058 0.2132 0.2126
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0019 0.0026 0.0122
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Toxoplasma gondii LsmAD domain-containing protein 0.0036 0.0092 0.0202
Toxoplasma gondii ribonuclease HI protein 0.0714 0.2634 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Loa Loa (eye worm) TK/ROR protein kinase 0.058 0.2132 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.004 0.0119
Echinococcus granulosus ribonuclease H1 0.0714 0.2634 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0221 0.0785 0.3682
Schistosoma mansoni hypothetical protein 0.0114 0.0382 0.0374
Brugia malayi nuclear receptor NHR-88 0.0019 0.0026 0.009
Schistosoma mansoni hypothetical protein 0.0263 0.0943 0.0937
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0026 0.009
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0019 0.0026 0.0066
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0026 0.0019
Echinococcus granulosus KRAB A domain containing protein 0.0061 0.0183 0.0664
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0032 0.0076 0.0256
Brugia malayi Trypsin family protein 0.0108 0.0361 0.1364
Trypanosoma cruzi PAB1-binding protein , putative 0.0036 0.0092 0.0342
Brugia malayi reverse transcriptase 0.0061 0.0183 0.0687
Giardia lamblia Ribonuclease H 0.0714 0.2634 1
Loa Loa (eye worm) hypothetical protein 0.0108 0.0361 0.1695
Loa Loa (eye worm) hypothetical protein 0.0032 0.0074 0.0348
Brugia malayi hypothetical protein 0.0024 0.0044 0.0158
Plasmodium falciparum ataxin-2 like protein, putative 0.0036 0.0092 0.025
Echinococcus multilocularis tissue type plasminogen activator 0.058 0.2132 0.8088
Echinococcus multilocularis ribonuclease H1 0.0714 0.2634 1
Schistosoma mansoni phosphoglucomutase 0.0714 0.2634 0.2629
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0122
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0108 0.0361 0.0354
Echinococcus granulosus caspase 2 0.0053 0.0155 0.0558
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Echinococcus granulosus Mastin 0.0108 0.0361 0.1343
Echinococcus multilocularis dnaJ subfamily B 0.0263 0.0943 0.356
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0026 0.0066
Brugia malayi hypothetical protein 0.0108 0.0361 0.1364
Echinococcus granulosus cpg binding protein 0.0021 0.0034 0.0095
Brugia malayi Bromodomain containing protein 0.0051 0.0148 0.0554
Schistosoma mansoni serine/threonine protein kinase 0.0061 0.0183 0.0176
Echinococcus multilocularis neuropeptide s receptor 0.0298 0.1072 0.4051
Echinococcus granulosus geminin 0.0114 0.0382 0.142
Trypanosoma brucei hypothetical protein, conserved 0.0775 0.2862 0.286
Schistosoma mansoni caspase-7 (C14 family) 0.0053 0.0155 0.0148
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0074 0.0132
Brugia malayi hypothetical protein 0.0036 0.0092 0.0342
Brugia malayi reverse transcriptase 0.0061 0.0183 0.0687
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0061 0.0183 0.0664
Brugia malayi Kringle domain containing protein 0.058 0.2132 0.8092
Echinococcus granulosus neuropeptide receptor A26 0.0298 0.1072 0.4051
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.007 0.0068
Onchocerca volvulus 0.0061 0.0183 0.0606
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0122
Schistosoma mansoni RAR-like nuclear receptor 0.0019 0.0026 0.0019
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0074 0.0132
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0074 0.0132
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0074 0.0273
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0019 0.0026 0.009
Toxoplasma gondii kringle domain-containing protein 0.058 0.2132 0.8065
Loa Loa (eye worm) hypothetical protein 0.0108 0.0361 0.1695
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0019 0.0026 0.009
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.004 0.0143
Plasmodium falciparum ataxin-2 like protein, putative 0.0036 0.0092 0.025
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0019 0.0026 0.0122
Onchocerca volvulus 0.0108 0.0361 0.1289
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0019 0.0026 0.009
Trypanosoma cruzi PAB1-binding protein , putative 0.0036 0.0092 0.0342
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0061 0.0183 0.0664
Echinococcus multilocularis caspase 3 0.0061 0.0185 0.0672
Mycobacterium tuberculosis Possible maturase 0.0061 0.0183 1
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Echinococcus multilocularis geminin 0.0114 0.0382 0.142
Brugia malayi Protein kinase domain containing protein 0.058 0.2132 0.8092
Leishmania major hypothetical protein, conserved 0.0036 0.0092 0.0342
Schistosoma mansoni cpg binding protein 0.0021 0.0034 0.0026
Trypanosoma brucei PAB1-binding protein , putative 0.0036 0.0092 0.009
Toxoplasma gondii histone lysine methyltransferase SET1 0.0038 0.0097 0.0221
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0026 0.0066
Loa Loa (eye worm) hypothetical protein 0.0022 0.0038 0.0178
Loa Loa (eye worm) CXXC zinc finger family protein 0.0018 0.0025 0.0117
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0019 0.0026 0.0066
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0074 0.0132
Echinococcus multilocularis caspase 2 0.0053 0.0155 0.0558
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0019 0.0026 0.009
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0108 0.0361 0.0354
Brugia malayi RNase H family protein 0.0714 0.2634 1
Plasmodium vivax SET domain protein, putative 0.0032 0.0076 0.0171
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0064 0.0196 0.0189
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0061 0.0183 0.0664
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0032 0.0076 0.0356
Schistosoma mansoni phosphoglucomutase 0.0714 0.2634 0.2629
Schistosoma mansoni microtubule-associated protein tau 0.0444 0.1622 0.1616
Onchocerca volvulus 0.0108 0.0361 0.1289
Echinococcus granulosus ecdysone induced protein 78C 0.0019 0.0026 0.0066
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0122
Schistosoma mansoni caspase-3 (C14 family) 0.0093 0.0304 0.0296
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0093 0.0304 0.1123
Brugia malayi photoreceptor-specific nuclear receptor 0.0019 0.0026 0.009
Schistosoma mansoni aldehyde dehydrogenase 0.0041 0.0108 0.0101
Trypanosoma brucei ingi protein (ORF1) 0.0775 0.2862 0.286
Trypanosoma cruzi metacaspase, putative 0.0032 0.0074 0.0273
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0019 0.0026 0.0122
Trichomonas vaginalis set domain proteins, putative 0.0252 0.09 0.3313
Trypanosoma cruzi ribonuclease H1, putative 0.0714 0.2634 1
Trypanosoma cruzi ribonuclease H1, putative 0.0714 0.2634 1
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0108 0.0361 0.0354
Trypanosoma brucei SLACS retrotransposable element (part), putative 0.0061 0.0183 0.0181
Trypanosoma cruzi metacaspase, putative 0.0032 0.0074 0.0273
Echinococcus multilocularis Mastin 0.0108 0.0361 0.1343
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0074 0.0132
Brugia malayi Cell death protein 3 precursor 0.0053 0.0155 0.0581
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0019 0.0026 0.0019
Leishmania major ribonuclease H1, putative 0.0714 0.2634 1
Onchocerca volvulus 0.0108 0.0361 0.1289
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0019 0.0026 0.0019
Echinococcus multilocularis telomerase reverse transcriptase subunit 0.0061 0.0183 0.0664
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0041 0.011 0.0384
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0019 0.0026 0.0122
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0061 0.0183 0.0552
Schistosoma mansoni steroid hormone receptor ad4bp 0.0019 0.0026 0.0019
Brugia malayi Trypsin family protein 0.0108 0.0361 0.1364
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0108 0.0361 0.0354
Plasmodium falciparum importin beta, putative 0.0031 0.007 0.0145
Loa Loa (eye worm) hypothetical protein 0.0108 0.0361 0.1695
Echinococcus granulosus caspase 0.0093 0.0304 0.1123
Mycobacterium ulcerans aldehyde dehydrogenase 0.0041 0.0108 0.2949
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0108 0.0361 0.1343
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0019 0.0026 0.0004
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0002 0.0011
Echinococcus granulosus apoptotic protease activating factor 1 0.0022 0.0037 0.0106
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.007 0.0117
Brugia malayi hypothetical protein 0.0061 0.0183 0.0687
Schistosoma mansoni coup transcription factor 0.0019 0.0026 0.0019
Loa Loa (eye worm) hypothetical protein 0.0043 0.0119 0.0557
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0108 0.0361 0.0354
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.004 0.0188
Echinococcus granulosus caspase 3 0.0061 0.0185 0.0672
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0074 0.0132
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0043 0.0119 0.0111
Brugia malayi hypothetical protein 0.0022 0.0037 0.013
Plasmodium falciparum metacaspase-like protein 0.0032 0.0074 0.0163
Trichomonas vaginalis ribonuclease H1, putative 0.0714 0.2634 1
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.004 0.0119
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0061 0.0183 0.0664
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0019 0.0026 0.0066
Brugia malayi nuclear hormone receptor 0.0019 0.0026 0.009
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0043 0.0119 0.0419
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0019 0.0026 0.0066
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Brugia malayi Trypsin-like protease protein 5 0.0108 0.0361 0.1364
Brugia malayi Bromodomain containing protein 0.0026 0.0052 0.0188
Loa Loa (eye worm) CYP4Cod1 0.0012 0.0002 0.0011
Loa Loa (eye worm) hypothetical protein 0.0047 0.0133 0.0626
Onchocerca volvulus Ribonuclease H1 homolog 0.0714 0.2634 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0043 0.0119 0.0111
Plasmodium vivax cysteine repeat modular protein 1, putative 0.058 0.2132 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0058 0.0272
Echinococcus multilocularis apoptotic protease activating factor 1 0.0022 0.0037 0.0106
Brugia malayi Calcitonin receptor-like protein seb-1 0.0032 0.0076 0.028
Trypanosoma brucei ribonuclease H1 0.0714 0.2634 0.2632
Echinococcus multilocularis thyroid hormone receptor alpha 0.0019 0.0026 0.0066
Onchocerca volvulus 0.0108 0.0361 0.1289
Echinococcus granulosus FTZ F1 alpha 0.0019 0.0026 0.0066
Onchocerca volvulus 0.0108 0.0361 0.1289
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0108 0.0361 0.1364
Mycobacterium ulcerans aldehyde dehydrogenase 0.0041 0.0108 0.2949
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0019 0.0026 0.0019
Schistosoma mansoni hypothetical protein 0.0326 0.118 0.1174
Trypanosoma cruzi hypothetical protein, conserved 0.058 0.2132 0.8092
Trichomonas vaginalis NeSL-1_NeSL reverse transcriptases, putative 0.0061 0.0183 0.0552
Brugia malayi Zinc knuckle family protein 0.0061 0.0183 0.0687
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0061 0.0183 0.0664
Leishmania major importin beta-1 subunit, putative 0.0025 0.0049 0.0176
Trichomonas vaginalis reverse transcriptases, putative 0.0061 0.0183 0.0552
Onchocerca volvulus 0.0061 0.0183 0.0606
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0019 0.0026 0.0066
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0122
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0019 0.0026 0.0066
Echinococcus multilocularis enteropeptidase 0.0108 0.0361 0.1343
Loa Loa (eye worm) PHD-finger family protein 0.0014 0.0007 0.0035
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0061 0.0183 0.0664
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0108 0.0361 0.1343
Schistosoma mansoni mixed-lineage leukemia protein mll 0.004 0.0107 0.01
Onchocerca volvulus 0.0019 0.0026 0.0004
Trypanosoma brucei metacaspase MCA2 0.0032 0.0074 0.0072
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0019 0.0026 0.009
Trypanosoma brucei ingi protein (ORF1) 0.0775 0.2862 0.286
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0122
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0122
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Trypanosoma brucei unspecified product 0.0775 0.2862 0.286
Brugia malayi Trypsin family protein 0.0108 0.0361 0.1364
Echinococcus granulosus dnaJ subfamily B 0.0263 0.0943 0.356
Plasmodium vivax ataxin-2 like protein, putative 0.0036 0.0092 0.025
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0061 0.0183 0.0664
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0019 0.0026 0.009
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0074 0.0132
Echinococcus multilocularis snurportin 1 0.0326 0.118 0.4462
Loa Loa (eye worm) hypothetical protein 0.0108 0.0361 0.1695
Trypanosoma brucei metacaspase MCA3 0.0032 0.0074 0.0072
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0032 0.0076 0.0068
Leishmania major hypothetical protein, conserved 0.058 0.2132 0.8092
Loa Loa (eye worm) hypothetical protein 0.0031 0.007 0.033
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0049 0.0176
Brugia malayi hypothetical protein 0.0061 0.0183 0.0687
Trichomonas vaginalis reverse transcriptases, putative 0.0061 0.0183 0.0552
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0041 0.0108 0.0402
Brugia malayi hypothetical protein 0.0061 0.0183 0.0687
Onchocerca volvulus Protein ultraspiracle homolog 0.0019 0.0026 0.0004
Onchocerca volvulus Cell death protein 3 homolog 0.0053 0.0155 0.0499
Schistosoma mansoni scy1(yeast) protein kinase-like 0.0061 0.0183 0.0176
Trypanosoma cruzi metacaspase, putative 0.0032 0.0074 0.0273
Leishmania major metacaspase, putative 0.0032 0.0074 0.0273
Brugia malayi RNase H family protein 0.0714 0.2634 1
Echinococcus granulosus transmembrane protease serine 3 0.0108 0.0361 0.1343
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0024 0.0046 0.0142
Echinococcus multilocularis caspase 0.0093 0.0304 0.1123
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0026 0.009
Schistosoma mansoni protein kinase 0.0061 0.0183 0.0176
Brugia malayi RNA, U transporter 1 0.0087 0.0282 0.1062
Giardia lamblia Reverse transcriptase/endonuclease 0.0061 0.0183 0.0552
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0064 0.0196 0.0735
Mycobacterium ulcerans aldehyde dehydrogenase 0.0041 0.0108 0.2949
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0074 0.0132
Plasmodium vivax importin-beta 2, putative 0.0031 0.007 0.0145
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0049 0.0033
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0032 0.0076 0.0068
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0019 0.0026 0.0019
Loa Loa (eye worm) cytochrome P450 family protein 0.0012 0.0002 0.0011
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Echinococcus granulosus fetal alzheimer antigen falz 0.0016 0.0016 0.0028
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0032 0.0074 0.0273
Loa Loa (eye worm) trypsin family protein 0.0108 0.0361 0.1695
Trypanosoma brucei RNA helicase, putative 0.2677 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0024 0.0046 0.0142
Onchocerca volvulus 0.058 0.2132 0.8076
Trypanosoma brucei Metacaspase-4 0.0032 0.0074 0.0072
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.007 0.0068
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0061 0.0183 0.0664
Onchocerca volvulus 0.0032 0.0076 0.0195
Schistosoma mansoni nuclear hormone receptor 0.0019 0.0026 0.0019
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0041 0.0108 0.0379
Echinococcus granulosus neuropeptide s receptor 0.0298 0.1072 0.4051
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0074 0.0132
Schistosoma mansoni cpg binding protein 0.0021 0.0034 0.0026
Schistosoma mansoni hypothetical protein 0.0061 0.0183 0.0176
Loa Loa (eye worm) hypothetical protein 0.0108 0.0361 0.1695
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0019 0.0026 0.0066
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0019 0.0026 0.0122
Echinococcus granulosus caspase 8 0.0032 0.0074 0.0249
Entamoeba histolytica hypothetical protein 0.0025 0.0049 1
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0026 0.0019
Loa Loa (eye worm) hypothetical protein 0.0019 0.0026 0.0122
Brugia malayi Pre-SET motif family protein 0.0221 0.0785 0.2974
Echinococcus multilocularis transmembrane protease serine 3 0.0108 0.0361 0.1343
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0019 0.0026 0.0066
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0061 0.0183 0.0552
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0074 0.0132
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0016 0.0016 0.0028
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0019 0.0026 0.009
Schistosoma mansoni hypothetical protein 0.0114 0.0382 0.0374
Schistosoma mansoni aldehyde dehydrogenase 0.0041 0.0108 0.0101
Echinococcus granulosus tissue type plasminogen activator 0.058 0.2132 0.8088
Echinococcus multilocularis importin subunit beta 1 0.0031 0.007 0.0234
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0016 0.0017 0.0031
Echinococcus multilocularis FTZ F1 alpha 0.0019 0.0026 0.0066
Brugia malayi Zinc knuckle family protein 0.0061 0.0183 0.0687
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0064 0.0196 0.0189
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0093 0.0304 0.1123
Schistosoma mansoni phosphoglucomutase 0.0714 0.2634 0.2629
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Onchocerca volvulus Bile acid receptor homolog 0.0019 0.0026 0.0004
Echinococcus granulosus snurportin 1 0.0326 0.118 0.4462
Brugia malayi reverse transcriptase 0.0061 0.0183 0.0687
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.004 0.0038
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0064 0.0196 0.0713
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0061 0.0183 0.0664
Schistosoma mansoni cpg binding protein 0.0018 0.0025 0.0017
Brugia malayi Importin beta-1 subunit 0.0031 0.007 0.0258
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0019 0.0026 0.0019
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0064 0.0196 0.0919
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0019 0.0026 0.0066
Schistosoma mansoni bromodomain containing protein 0.0043 0.0119 0.0111
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0016 0.0017 0.0031
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0019 0.0026 0.0066
Brugia malayi ecdysteroid receptor 0.0019 0.0026 0.009
Echinococcus granulosus microtubule associated protein 2 0.0444 0.1622 0.6145
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0074 0.0132
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0074 0.0132
Mycobacterium ulcerans hypothetical protein 0.0108 0.0361 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0019 0.0026 0.009
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0061 0.0183 0.0552
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Brugia malayi Pre-SET motif family protein 0.0032 0.0076 0.0279
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0074 0.0132
Loa Loa (eye worm) hypothetical protein 0.0032 0.0076 0.0356
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0064 0.0196 0.0713
Leishmania major GTP-binding protein, putative 0.0023 0.004 0.0143
Loa Loa (eye worm) cytochrome P450 family protein 0.0019 0.0027 0.0128
Trypanosoma brucei Endonuclease-reverse transcriptase/Reverse transcriptase (RNA-dependent DNA polymerase), putative 0.0061 0.0183 0.0181
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0019 0.0026 0.0122
Onchocerca volvulus Telomerase reverse transcriptase homolog 0.0061 0.0183 0.0606
Toxoplasma gondii aldehyde dehydrogenase 0.0041 0.0108 0.0263
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0108 0.0361 0.1343
Trypanosoma brucei SLACS reverse transcriptase, putative 0.0061 0.0183 0.0181
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0074 0.0132
Trypanosoma brucei metacaspase 0.0032 0.0074 0.0072
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0049 0.0033
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0061 0.0183 0.0664
Schistosoma mansoni thyroid hormone receptor 0.0019 0.0026 0.0019
Echinococcus granulosus RNA directed DNA polymerase reverse transcriptase 0.0061 0.0183 0.0664
Trypanosoma brucei metacaspase 5, putative 0.0032 0.0074 0.0072
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.003 0.007 0.0233
Echinococcus multilocularis caspase 8 0.0032 0.0074 0.0249
Schistosoma mansoni zinc finger protein 0.0014 0.0009 0.0001
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0061 0.0183 0.0664
Echinococcus granulosus RNA directed DNA polymerase 0.0061 0.0183 0.0664
Echinococcus multilocularis glycoprotein Antigen 5 0.0108 0.0361 0.1343
Brugia malayi Pao retrotransposon peptidase family protein 0.0061 0.0183 0.0687
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0278 0.0998 0.0991
Brugia malayi CXXC zinc finger family protein 0.0018 0.0025 0.0086
Schistosoma mansoni caspase-7 (C14 family) 0.0093 0.0304 0.0296
Loa Loa (eye worm) hypothetical protein 0.058 0.2132 1
Schistosoma mansoni cercarial elastase (S01 family) 0.0108 0.0361 0.0354
Giardia lamblia Reverse transcriptase/endonuclease, putative 0.0061 0.0183 0.0552
Schistosoma mansoni hypothetical protein 0.0022 0.0037 0.0029
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0158 0.0548 0.0541
Loa Loa (eye worm) hypothetical protein 0.0036 0.0092 0.0433
Schistosoma mansoni importin beta-1 0.0031 0.007 0.0063
Trypanosoma cruzi metacaspase, putative 0.0032 0.0074 0.0273
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0064 0.0196 0.0713
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0074 0.0132
Onchocerca volvulus 0.0022 0.0037 0.0045
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0019 0.0026 0.009
Echinococcus multilocularis neuropeptide receptor A26 0.0298 0.1072 0.4051
Brugia malayi Steroid receptor seven-up type 2 0.0019 0.0026 0.009
Loa Loa (eye worm) hypothetical protein 0.0026 0.0052 0.0244
Onchocerca volvulus 0.0252 0.09 0.3352
Plasmodium falciparum metacaspase 1 0.0032 0.0074 0.0163
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0041 0.011 0.0384
Schistosoma mansoni hypothetical protein 0.0108 0.0361 0.0354
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0326 0.118 0.5536
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0016 0.0016 0.0009
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0032 0.0076 0.0138
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0074 0.0132
Plasmodium falciparum cysteine repeat modular protein 1 0.058 0.2132 1
Schistosoma mansoni ran 0.0023 0.004 0.0033
Brugia malayi RNase H family protein 0.0714 0.2634 1
Brugia malayi latrophilin 2 splice variant baaae 0.0022 0.0038 0.0135
Schistosoma mansoni hypothetical protein 0.0108 0.0361 0.0354
Loa Loa (eye worm) hypothetical protein 0.003 0.0067 0.0313
Brugia malayi hypothetical protein 0.0061 0.0183 0.0687
Loa Loa (eye worm) hypothetical protein 0.0053 0.0155 0.0728
Echinococcus granulosus enteropeptidase 0.0108 0.0361 0.1343
Echinococcus multilocularis RNA directed DNA polymerase (reverse transcriptase) 0.0061 0.0183 0.0664
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0064 0.0196 0.0189
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0019 0.0026 0.0066
Brugia malayi Trypsin family protein 0.0108 0.0361 0.1364
Loa Loa (eye worm) hypothetical protein 0.0022 0.0037 0.0172
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0108 0.0361 0.0354

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) = 2.5 uM Effective dose of the compound for antiviral activity against HIV-1-infected H-9 cells ChEMBL. 8831779
ED50 (functional) = 2.5 uM Effective dose of the compound for antiviral activity against HIV-1-infected H-9 cells ChEMBL. 8831779
Ki (binding) = 0.2 nM Binding affinity of the compound towards HIV protease was determined ChEMBL. 8831779
Ki (binding) = 0.2 nM Binding affinity of the compound towards HIV protease was determined ChEMBL. 8831779

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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