Detailed information for compound 113385

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 515.582 | Formula: C24H29N5O6S
  • H donors: 4 H acceptors: 5 LogP: 1.49 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCNC(=N)c1ccc(cc1)C1=NO[C@H](C1)CC(=O)NC[C@@H](C(=O)O)NS(=O)(=O)c1ccccc1C
  • InChi: 1S/C24H29N5O6S/c1-3-26-23(25)17-10-8-16(9-11-17)19-12-18(35-28-19)13-22(30)27-14-20(24(31)32)29-36(33,34)21-7-5-4-6-15(21)2/h4-11,18,20,29H,3,12-14H2,1-2H3,(H2,25,26)(H,27,30)(H,31,32)/t18-,20+/m1/s1
  • InChiKey: AZURCDNHTJCVJK-QUCCMNQESA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 neuropeptide s receptor 0.0485 0.6936 0.693
Loa Loa (eye worm) fibroinase 0.0016 0.0033 0.0102
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0582 0.4205
Echinococcus multilocularis geminin 0.0693 1 1
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0046 0.0027
Loa Loa (eye worm) ctsf protein 0.0016 0.0033 0.0102
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0212 0.2918 0.2904
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0057 0.0632 0.8982
Loa Loa (eye worm) hypothetical protein 0.0039 0.0364 0.113
Loa Loa (eye worm) mbt repeat family protein 0.0054 0.0587 0.1826
Leishmania major cathepsin L-like protease 0.0016 0.0033 0.0197
Brugia malayi carbohydrate phosphorylase 0.0105 0.1338 0.416
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0057 0.0632 0.8982
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0169 0.2286 0.2271
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0017 0.0046 0.0027
Chlamydia trachomatis glycogen phosphorylase 0.0105 0.1338 0.5
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0153 0.196
Echinococcus granulosus polycomb protein SCMH1 0.0054 0.0587 0.0569
Echinococcus multilocularis survival motor neuron protein 1 0.0228 0.3156 0.3143
Echinococcus granulosus lamin 0.0026 0.0178 0.0159
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0169 0.2286 0.2271
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0143
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0582 0.8241
Entamoeba histolytica hypothetical protein 0.0035 0.0306 0.2095
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0017 0.0046 0.0143
Onchocerca volvulus Putative organic anion transporter 0.0057 0.0628 0.187
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0143
Loa Loa (eye worm) hypothetical protein 0.0057 0.0628 0.1952
Loa Loa (eye worm) agrin synaptic family protein 0.0039 0.0364 0.113
Leishmania major cathepsin L-like protease 0.0016 0.0033 0.0197
Echinococcus granulosus glycogen phosphorylase 0.0105 0.1338 0.1321
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0046 0.0027
Echinococcus multilocularis follistatin 0.0039 0.0364 0.0345
Entamoeba histolytica glycogen phosphorylase, putative 0.0045 0.0462 0.3288
Schistosoma mansoni agrin 0.0039 0.0364 0.0345
Leishmania major cathepsin L-like protease 0.0062 0.0702 1
Toxoplasma gondii protease inhibitor PI2 0.0039 0.0364 0.1184
Schistosoma mansoni glycogen phosphorylase 0.0105 0.1338 0.1321
Leishmania major cathepsin L-like protease 0.0016 0.0033 0.0197
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0057 0.0632 0.0614
Schistosoma mansoni retinoic acid receptor RXR 0.0017 0.0046 0.0027
Brugia malayi Cathepsin L-like precursor 0.0016 0.0033 0.0102
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0054 0.0587 0.1742
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0016 0.0033 0.1004
Schistosoma mansoni survival motor neuron protein 0.0047 0.048 0.0462
Brugia malayi prostaglandin transporter 0.0057 0.0628 0.1952
Loa Loa (eye worm) hypothetical protein 0.0057 0.0628 0.1952
Entamoeba histolytica glycogenphosphorylase, putative 0.0045 0.0462 0.3288
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0582 0.4205
Loa Loa (eye worm) hypothetical protein 0.0026 0.0171 0.0532
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0016 0.0033 0.0102
Loa Loa (eye worm) hypothetical protein 0.0054 0.0587 0.1826
Brugia malayi MH2 domain containing protein 0.0115 0.1492 0.4639
Schistosoma mansoni intermediate filament proteins 0.0026 0.0178 0.0159
Trypanosoma cruzi cysteine peptidase, putative 0.0016 0.0033 0.0197
Echinococcus multilocularis ecdysone induced protein 78C 0.0017 0.0046 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0017 0.0046 0.0143
Echinococcus multilocularis FTZ F1 alpha 0.0017 0.0046 0.0027
Schistosoma mansoni glycogen phosphorylase 0.0105 0.1338 0.1321
Brugia malayi Cathepsin L-like precursor 0.0016 0.0033 0.0102
Echinococcus multilocularis histone acetyltransferase MYST2 0.0061 0.0697 0.0679
Loa Loa (eye worm) glycogen phosphorylase 0.0105 0.1338 0.416
Toxoplasma gondii transporter, major facilitator family protein 0.0057 0.0628 0.2092
Echinococcus granulosus ecdysone induced protein 78C 0.0017 0.0046 0.0027
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0033 0.0013
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Onchocerca volvulus Bile acid receptor homolog 0.0017 0.0046 0.0042
Toxoplasma gondii cathepsin CPL 0.0016 0.0033 0.0046
Loa Loa (eye worm) hypothetical protein 0.0039 0.0364 0.113
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0213 0.2929 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0306 0.0287
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0054 0.0587 0.0569
Plasmodium vivax vivapain-2 0.0016 0.0033 0.1004
Leishmania major hypothetical protein, conserved 0.0024 0.0153 0.196
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0306 0.0287
Entamoeba histolytica hypothetical protein 0.0035 0.0306 0.2095
Schistosoma mansoni glycogen phosphorylase 0.0045 0.0462 0.0443
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0017 0.0046 0.0027
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0016 0.0033 0.0013
Echinococcus multilocularis neuropeptide s receptor 0.0485 0.6936 0.693
Loa Loa (eye worm) hypothetical protein 0.0057 0.0628 0.1952
Brugia malayi Cathepsin L-like precursor 0.0016 0.0033 0.0102
Mycobacterium ulcerans glycogen phosphorylase GlgP 0.0045 0.0462 0.5
Echinococcus multilocularis Glycosyl transferase, family 35 0.0105 0.1338 0.1321
Brugia malayi Steroid receptor seven-up type 2 0.0017 0.0046 0.0143
Echinococcus multilocularis cysteine protease 0.0016 0.0033 0.0013
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0033 0.0013
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0017 0.0046 0.0027
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0017 0.0046 0.0143
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0306 0.0287
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0017 0.0046 0.0027
Loa Loa (eye worm) hypothetical protein 0.0026 0.0178 0.0553
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0.1338 1
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0582 0.0563
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0033 0.0013
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0057 0.0628 0.1952
Brugia malayi Cathepsin L-like precursor 0.0016 0.0033 0.0102
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0026 0.0178 0.0553
Loa Loa (eye worm) hypothetical protein 0.0057 0.0628 0.1952
Loa Loa (eye worm) MBCTL1 0.0061 0.0697 0.2167
Loa Loa (eye worm) intermediate filament protein 0.0026 0.0178 0.0553
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0017 0.0046 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0017 0.0046 0.0143
Schistosoma mansoni coup transcription factor 0.0017 0.0046 0.0027
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0016 0.0033 0.0102
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0017 0.0046 0.0027
Echinococcus granulosus cathepsin L cysteine proteinase 0.0016 0.0033 0.0013
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.0364 0.113
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0582 0.1808
Onchocerca volvulus 0.0017 0.0046 0.0042
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0057 0.0632 0.8982
Echinococcus granulosus SAM and MBT domain containing protein 0.0054 0.0587 0.0569
Brugia malayi Pax transcription factor protein 2 0.0233 0.3216 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0582 0.8241
Brugia malayi mbt repeat family protein 0.0054 0.0587 0.1826
Brugia malayi hypothetical protein 0.0043 0.0435 0.1352
Brugia malayi hypothetical protein 0.0016 0.0026 0.0081
Schistosoma mansoni hypothetical protein 0.0047 0.048 0.0462
Echinococcus multilocularis expressed protein 0.0039 0.0364 0.0345
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0046 0.0143
Echinococcus granulosus FTZ F1 alpha 0.0017 0.0046 0.0027
Schistosoma mansoni hypothetical protein 0.0035 0.0306 0.0287
Loa Loa (eye worm) hypothetical protein 0.0039 0.0364 0.113
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0364 0.1184
Onchocerca volvulus 0.0048 0.0498 0.1461
Brugia malayi MAP kinase sur-1 0.0053 0.0582 0.1808
Loa Loa (eye worm) hypothetical protein 0.0061 0.0697 0.2167
Onchocerca volvulus 0.0026 0.0178 0.0457
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0019 0.006
Echinococcus granulosus Dipeptidyl peptidase 9 0.0057 0.0632 0.0614
Onchocerca volvulus 0.0057 0.0628 0.187
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Giardia lamblia Glycogen phosphorylase 0.0105 0.1338 1
Schistosoma mansoni steroid hormone receptor ad4bp 0.0017 0.0046 0.0027
Onchocerca volvulus 0.0054 0.0587 0.1742
Brugia malayi prolyl oligopeptidase family protein 0.0169 0.2286 0.7106
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0143
Loa Loa (eye worm) pax transcription factor protein 2 0.0233 0.3216 1
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0057 0.0632 0.8982
Trypanosoma brucei PAB1-binding protein , putative 0.0024 0.0153 0.196
Brugia malayi steroid hormone receptor 0.0017 0.0046 0.0143
Onchocerca volvulus 0.0047 0.048 0.1406
Leishmania major cathepsin L-like protease 0.0016 0.0033 0.0197
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0169 0.2286 0.2271
Brugia malayi Cathepsin L-like precursor 0.0016 0.0033 0.0102
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0046 0.0027
Trypanosoma brucei protein kinase, putative 0.0053 0.0582 0.8241
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0364 0.1184
Trypanosoma cruzi major cysteine proteinase, putative 0.0048 0.0507 0.7155
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0017 0.0046 0.0143
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0017 0.0046 0.0027
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0046 0.0143
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0582 0.8241
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0582 0.4205
Brugia malayi secreted modular calcium-binding protein 1 0.0039 0.0364 0.113
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.0364 0.113
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0017 0.0046 0.0143
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0017 0.0046 0.0143
Schistosoma mansoni hypothetical protein 0.0693 1 1
Brugia malayi isocitrate dehydrogenase 0.0015 0.0019 0.006
Schistosoma mansoni organic anion transporter 0.0057 0.0628 0.061
Schistosoma mansoni hypothetical protein 0.0693 1 1
Onchocerca volvulus 0.0057 0.0628 0.187
Toxoplasma gondii LsmAD domain-containing protein 0.0024 0.0153 0.046
Trypanosoma cruzi PAB1-binding protein , putative 0.0024 0.0153 0.196
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Schistosoma mansoni organic anion transporter 0.0057 0.0628 0.061
Onchocerca volvulus 0.0026 0.0178 0.0457
Schistosoma mansoni cathepsin F (C01 family) 0.0016 0.0033 0.0013
Loa Loa (eye worm) transcription factor SMAD2 0.0115 0.1492 0.4639
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0582 0.0563
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0212 0.2918 0.2904
Entamoeba histolytica hypothetical protein 0.0035 0.0306 0.2095
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0582 0.1933
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0582 0.8241
Loa Loa (eye worm) hypothetical protein 0.0057 0.0628 0.1952
Schistosoma mansoni myelin transcription factor 1 myt1 0.0061 0.0697 0.0679
Trichomonas vaginalis glycogen phosphorylase, putative 0.0105 0.1338 1
Brugia malayi sodium-independent organic anion transporter family protein 0.0057 0.0628 0.1952
Brugia malayi hypothetical protein 0.0057 0.0628 0.1952
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0017 0.0046 0.0027
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0702 1
Echinococcus granulosus lamin dm0 0.0026 0.0178 0.0159
Brugia malayi sodium-independent organic anion transporter family protein 0.0057 0.0628 0.1952
Brugia malayi intermediate filament protein 0.0026 0.0178 0.0553
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0017 0.0046 0.0143
Brugia malayi hypothetical protein 0.0035 0.0306 0.0952
Echinococcus granulosus Glycosyl transferase family 35 0.0105 0.1338 0.1321
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 0.1338 1
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0017 0.0046 0.0027
Echinococcus granulosus histone acetyltransferase MYST2 0.0061 0.0697 0.0679
Leishmania major cathepsin L-like protease 0.0016 0.0033 0.0197
Schistosoma mansoni thyroid hormone receptor 0.0017 0.0046 0.0027
Loa Loa (eye worm) hypothetical protein 0.0016 0.0033 0.0102
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.0364 0.113
Echinococcus multilocularis glycogen phosphorylase 0.0105 0.1338 0.1321
Schistosoma mansoni RAR-like nuclear receptor 0.0017 0.0046 0.0027
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0153 1
Plasmodium vivax ataxin-2 like protein, putative 0.0024 0.0153 1
Echinococcus multilocularis polycomb protein SCMH1 0.0054 0.0587 0.0569
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0587 0.0569
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0017 0.0046 0.0143
Brugia malayi nuclear hormone receptor 0.0017 0.0046 0.0143
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0057 0.0632 0.0614
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0143
Brugia malayi sodium-independent organic anion transporter family protein 0.0057 0.0628 0.1952
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0061 0.0697 0.0679
Loa Loa (eye worm) hypothetical protein 0.0057 0.0628 0.1952
Echinococcus multilocularis glycogen phosphorylase 0.0105 0.1338 0.1321
Echinococcus granulosus survival motor neuron protein 1 0.0228 0.3156 0.3143
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0017 0.0046 0.0143
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0582 0.0563
Brugia malayi mbt repeat family protein 0.0054 0.0587 0.1826
Brugia malayi hypothetical protein 0.0024 0.0153 0.0476
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0364 0.1184
Entamoeba histolytica glycogen phosphorylase, putative 0.0105 0.1338 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0056 0.0623 0.8847
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0017 0.0046 0.0027
Echinococcus multilocularis lamin dm0 0.0026 0.0178 0.0159
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0017 0.0046 0.0027
Plasmodium falciparum ataxin-2 like protein, putative 0.0024 0.0153 1
Loa Loa (eye worm) hypothetical protein 0.0024 0.0153 0.0476
Loa Loa (eye worm) hypothetical protein 0.0043 0.0435 0.1352
Schistosoma mansoni follistatin 0.0039 0.0364 0.0345
Trypanosoma cruzi MFS transporter, putative 0.0057 0.0628 0.8921
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0019 0.006
Echinococcus multilocularis cysteine protease 0.0016 0.0033 0.0013
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0016 0.0033 0.1004
Mycobacterium tuberculosis Probable glycogen phosphorylase GlgP 0.0045 0.0462 1
Loa Loa (eye worm) steroid hormone receptor 0.0017 0.0046 0.0143
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0057 0.0632 0.8982
Schistosoma mansoni hypothetical protein 0.0327 0.4613 0.4603
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0582 0.8241
Loa Loa (eye worm) cysteine protease 0.0016 0.0033 0.0102
Entamoeba histolytica hypothetical protein 0.0035 0.0306 0.2095
Echinococcus granulosus cathepsin l1 0.0016 0.0033 0.0013
Echinococcus granulosus agrin 0.0039 0.0364 0.0345
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0017 0.0046 0.0027
Brugia malayi photoreceptor-specific nuclear receptor 0.0017 0.0046 0.0143
Echinococcus granulosus tumor protein p63 0.0326 0.4598 0.4588
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0364 0.1184
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0046 0.0027
Loa Loa (eye worm) prolyl oligopeptidase 0.0169 0.2286 0.7106
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0702 1
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0582 0.8241
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0017 0.0046 0.0143
Echinococcus multilocularis cathepsin L cysteine protease 0.0016 0.0033 0.0013
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0143
Schistosoma mansoni sex comb on midleg homolog 0.0054 0.0587 0.0569
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0017 0.0046 0.0042
Echinococcus multilocularis neuropeptide receptor A26 0.0485 0.6936 0.693
Onchocerca volvulus 0.0039 0.0364 0.1039
Brugia malayi nuclear receptor NHR-88 0.0017 0.0046 0.0143
Loa Loa (eye worm) hypothetical protein 0.0048 0.0498 0.1548
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0582 0.0563
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Plasmodium vivax vivapain-2 0.0016 0.0033 0.1004
Loa Loa (eye worm) hypothetical protein 0.0057 0.0628 0.1952
Schistosoma mansoni lamin 0.0026 0.0178 0.0159
Loa Loa (eye worm) MH2 domain-containing protein 0.0115 0.1492 0.4639
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0498 0.0479
Brugia malayi Papain family cysteine protease containing protein 0.0016 0.0033 0.0102
Onchocerca volvulus 0.0057 0.0628 0.187
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0057 0.0628 0.061
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0143
Echinococcus granulosus neuropeptide receptor A26 0.0485 0.6936 0.693
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0016 0.0033 0.0013
Loa Loa (eye worm) hypothetical protein 0.0039 0.0364 0.113
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0017 0.0046 0.0027
Brugia malayi Intermediate filament tail domain containing protein 0.0026 0.0178 0.0553
Brugia malayi hypothetical protein 0.0228 0.3156 0.9814
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0061 0.0697 0.2167
Plasmodium falciparum cysteine proteinase falcipain 3 0.0016 0.0033 0.1004
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0582 0.8241
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0046 0.0027
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0046 0.0143
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0062 0.0702 1
Echinococcus multilocularis agrin 0.0039 0.0364 0.0345
Echinococcus granulosus Solute carrier organic anion transporter family 0.0057 0.0628 0.061
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0017 0.0046 0.0027
Onchocerca volvulus Putative organic anion transporter 0.0057 0.0628 0.187
Brugia malayi ecdysteroid receptor 0.0017 0.0046 0.0143
Leishmania major cysteine peptidase A (CPA) 0.0016 0.0033 0.0197
Onchocerca volvulus Putative organic anion transporter 0.0057 0.0628 0.187
Brugia malayi Cathepsin L-like precursor 0.0016 0.0033 0.0102
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0039 0.0364 0.113
Onchocerca volvulus Protein ultraspiracle homolog 0.0017 0.0046 0.0042
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0017 0.0046 0.0143
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0061 0.0697 0.0679
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0017 0.0046 0.0143
Brugia malayi hypothetical protein 0.0057 0.0628 0.1952
Echinococcus granulosus intermediate filament protein 0.0026 0.0178 0.0159
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0582 0.0563
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0017 0.0046 0.0143
Onchocerca volvulus 0.0057 0.0628 0.187
Brugia malayi Nuclear hormone receptor-like 1 0.0017 0.0046 0.0143
Leishmania major cathepsin L-like protease 0.0062 0.0702 1
Brugia malayi SPARC precursor 0.0039 0.0364 0.113
Loa Loa (eye worm) hypothetical protein 0.0017 0.0046 0.0143
Schistosoma mansoni lamin 0.0026 0.0178 0.0159
Onchocerca volvulus 0.0057 0.0628 0.187
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0169 0.2286 0.7077
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0057 0.0632 0.2107
Onchocerca volvulus 0.0233 0.3216 1
Echinococcus granulosus follistatin 0.0039 0.0364 0.0345
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0046 0.0027
Echinococcus multilocularis tumor protein p63 0.0326 0.4598 0.4588
Echinococcus granulosus glycogen phosphorylase 0.0105 0.1338 0.1321
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0017 0.0046 0.0143
Onchocerca volvulus Glycogen phosphorylase homolog 0.0105 0.1338 0.41
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0057 0.0628 0.061
Echinococcus multilocularis musashi 0.0026 0.0178 0.0159
Trypanosoma cruzi cysteine peptidase, putative 0.0062 0.0702 1
Trypanosoma cruzi cruzipain precursor, putative 0.0062 0.0702 1
Brugia malayi prolyl oligopeptidase family protein 0.0057 0.0632 0.1965
Echinococcus multilocularis thyroid hormone receptor alpha 0.0017 0.0046 0.0027
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0017 0.0046 0.0027
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0039 0.0364 0.113
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0057 0.0628 0.061
Entamoeba histolytica glycogen phosphorylase, putative 0.0045 0.0462 0.3288
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0017 0.0046 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0017 0.0046 0.0143
Echinococcus multilocularis SAM and MBT domain containing protein 0.0054 0.0587 0.0569
Echinococcus multilocularis lamin 0.0026 0.0178 0.0159
Leishmania major cathepsin L-like protease 0.0062 0.0702 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0582 0.4205
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0047 0.048 0.1493
Loa Loa (eye worm) hypothetical protein 0.0228 0.3156 0.9814

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 0.043 uM Concentration required for maximal in vitro inhibition of aggregation of human platelet rich plasma (hPRP) ChEMBL. 11514170
IC50 (functional) = 0.043 uM Concentration required for maximal in vitro inhibition of aggregation of human platelet rich plasma (hPRP) ChEMBL. 11514170
Inhibition (functional) = 40 % Percent inhibition of ex vivo platelet aggregation of rich plasma at a dose of 0.025 mg/kg, iv, in canine model at 5 hrs ChEMBL. 11514170

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 11514170

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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