Detailed information for compound 279092

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 549.666 | Formula: C23H31N7O5S2
  • H donors: 3 H acceptors: 6 LogP: 0.13 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(CN1CCN([C@H](C1=O)Cc1ccccc1)S(=O)(=O)C)N[C@H](C(=O)c1nccs1)CCCN=C(N)N
  • InChi: 1S/C23H31N7O5S2/c1-37(34,35)30-12-11-29(22(33)18(30)14-16-6-3-2-4-7-16)15-19(31)28-17(8-5-9-27-23(24)25)20(32)21-26-10-13-36-21/h2-4,6-7,10,13,17-18H,5,8-9,11-12,14-15H2,1H3,(H,28,31)(H4,24,25,27)/t17-,18-/m0/s1
  • InChiKey: DHJRGLZHLQHNCV-ROUUACIJSA-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
Homo sapiens coagulation factor X Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References

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
Loa Loa (eye worm) hypothetical protein 0.0247 0.1763 0.2457
Onchocerca volvulus 0.0034 0.0127 0.014
Brugia malayi hypothetical protein 0.0027 0.0074 0.0105
Echinococcus granulosus tumor protein p63 0.0296 0.2135 0.3012
Leishmania major cathepsin L-like protease 0.0034 0.0127 0.0636
Brugia malayi Cathepsin L-like cysteine proteinase 0.0023 0.004 0.0057
Brugia malayi hypothetical protein 0.0513 0.3803 0.5363
Mycobacterium ulcerans aldehyde dehydrogenase 0.0224 0.1587 0.4185
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0127 0.0348
Echinococcus granulosus cathepsin l cysteine peptidase 0.0034 0.0127 0.0179
Echinococcus granulosus GPCR family 2 0.0034 0.0123 0.0173
Schistosoma mansoni aldehyde dehydrogenase 0.0224 0.1587 0.2239
Schistosoma mansoni mucolipin 0.0076 0.0449 0.0633
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0123 0.0123
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.004 0.0111
Schistosoma mansoni hypothetical protein 0.0034 0.0123 0.0173
Trypanosoma cruzi ISWI complex protein 0.0029 0.0087 0.1011
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.2178 0.5953
Brugia malayi Cathepsin L-like precursor 0.0034 0.0127 0.0179
Schistosoma mansoni microtubule-associated protein tau 0.0565 0.42 0.5923
Brugia malayi cytoplasmic intermediate filament protein 0.0041 0.018 0.0254
Loa Loa (eye worm) hypothetical protein 0.0023 0.004 0.0018
Toxoplasma gondii LsmAD domain-containing protein 0.0042 0.0189 0.1033
Echinococcus multilocularis vesicular acetylcholine transporter 0.0941 0.7091 0.7091
Loa Loa (eye worm) hypothetical protein 0.0037 0.0149 0.0171
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Mycobacterium ulcerans aldehyde dehydrogenase 0.0224 0.1587 0.4185
Schistosoma mansoni hypothetical protein 0.0336 0.2447 0.3451
Schistosoma mansoni intermediate filament proteins 0.0077 0.0453 0.0639
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0376 0.2753 0.3858
Schistosoma mansoni cathepsin F (C01 family) 0.0034 0.0127 0.0179
Brugia malayi Cathepsin L-like precursor 0.0034 0.0127 0.0179
Onchocerca volvulus 0.0428 0.3152 0.4423
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Echinococcus multilocularis cysteine protease 0.0034 0.0127 0.0127
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0034 0.0127 0.0348
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0256 0.1829 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0034 0.0127 0.6726
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0256 0.1829 0.4999
Trypanosoma cruzi ISWI complex protein 0.0029 0.0087 0.1011
Onchocerca volvulus Cathepsin L homolog 0.0034 0.0127 0.014
Brugia malayi acetyltransferase, GNAT family protein 0.0125 0.0827 0.1166
Echinococcus multilocularis microtubule associated protein 2 0.0565 0.42 0.42
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0125 0.0824 0.2043
Schistosoma mansoni methyl-cpg binding protein mbd 0.0032 0.0113 0.0159
Onchocerca volvulus 0.0043 0.0197 0.0239
Brugia malayi Cathepsin L-like precursor 0.0034 0.0127 0.0179
Trichomonas vaginalis bromodomain-containing protein, putative 0.004 0.0172 0.047
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0054 0.0279 0.1609
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.003 0.0097 0.5
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.1382 0.3779
Loa Loa (eye worm) transcription factor SMAD2 0.0139 0.0934 0.1283
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0023 0.004 0.0111
Onchocerca volvulus 0.0105 0.0668 0.0906
Onchocerca volvulus 0.0077 0.0453 0.0602
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0078 0.0466 0.0658
Entamoeba histolytica hypothetical protein 0.0059 0.0319 0.1742
Schistosoma mansoni methyl-cpg binding protein mbd 0.0032 0.0113 0.0159
Entamoeba histolytica cysteine proteinase, putative 0.0034 0.0127 0.0696
Schistosoma mansoni glutaminase 0.0494 0.3658 0.5159
Toxoplasma gondii cathepsin CPL 0.0034 0.0127 0.0636
Entamoeba histolytica myo-inositol monophosphatase, putative 0.003 0.0097 0.0529
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.0301 0.2178 0.3071
Trypanosoma cruzi PAB1-binding protein , putative 0.0042 0.0189 0.2188
Schistosoma mansoni hypothetical protein 0.0039 0.0165 0.0233
Loa Loa (eye worm) PHD-finger family protein 0.0039 0.0165 0.0194
Brugia malayi Protein kinase domain containing protein 0.0021 0.0028 0.004
Loa Loa (eye worm) hypothetical protein 0.0023 0.004 0.0018
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0034 0.0127 0.014
Entamoeba histolytica hypothetical protein 0.0059 0.0319 0.1742
Loa Loa (eye worm) hypothetical protein 0.0036 0.0138 0.0156
Loa Loa (eye worm) fibroinase 0.0034 0.0127 0.014
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0086 0.0527 0.0527
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0034 0.0127 0.0348
Plasmodium falciparum cysteine proteinase falcipain 3 0.0034 0.0127 0.6726
Brugia malayi Pre-SET motif family protein 0.0054 0.0279 0.0394
Plasmodium vivax histone acetyltransferase GCN5, putative 0.004 0.0172 0.6162
Leishmania major cathepsin L-like protease 0.0034 0.0127 0.0636
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0123 0.0123
Entamoeba histolytica hypothetical protein 0.0059 0.0319 0.1742
Echinococcus multilocularis cathepsin L cysteine protease 0.0034 0.0127 0.0127
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Plasmodium vivax vivapain-2 0.0034 0.0127 0.4561
Echinococcus granulosus histone acetyltransferase KAT2B 0.004 0.0172 0.0243
Echinococcus granulosus vesicular acetylcholine transporter 0.0941 0.7091 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0139 0.0934 0.1283
Trypanosoma cruzi major cysteine proteinase, putative 0.0102 0.0651 0.7525
Brugia malayi Inositol-1 0.003 0.0097 0.0137
Onchocerca volvulus Cathepsin L homolog 0.0034 0.0127 0.014
Echinococcus granulosus cathepsin l1 0.0023 0.004 0.0057
Echinococcus multilocularis cysteine protease 0.0034 0.0127 0.0127
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0123 0.0173
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.1382 0.3779
Entamoeba histolytica hypothetical protein 0.0059 0.0319 0.1742
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0127 0.0348
Onchocerca volvulus 0.0023 0.004 0.0018
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.2178 0.5953
Brugia malayi intermediate filament protein 0.0077 0.0453 0.0639
Echinococcus granulosus survival motor neuron protein 1 0.0513 0.3803 0.5363
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Brugia malayi cathepsin L-like precursor 0.0023 0.004 0.0057
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.004 0.0172 0.047
Schistosoma mansoni lamin 0.0077 0.0453 0.0639
Loa Loa (eye worm) hypothetical protein 0.01 0.0634 0.0858
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0224 0.1587 1
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0097 0.044
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0028 0.1007
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0097 0.1119
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.2178 0.5953
Plasmodium vivax ataxin-2 like protein, putative 0.0042 0.0189 0.6781
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.004 0.0172 0.0922
Leishmania major cysteine peptidase A (CPA) 0.0034 0.0127 0.0636
Brugia malayi hypothetical protein 0.0247 0.1763 0.2487
Onchocerca volvulus 0.0077 0.0453 0.0602
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0105 0.0668 0.0942
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Onchocerca volvulus Cathepsin F homolog 0.0034 0.0127 0.014
Echinococcus granulosus lamin 0.0077 0.0453 0.0639
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0279 0.0394
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0106 0.068 0.0923
Brugia malayi hypothetical protein 0.0059 0.0319 0.0449
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0127 0.0348
Schistosoma mansoni hypothetical protein 0.0105 0.0668 0.0942
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0032 0.0113 0.0159
Schistosoma mansoni hypothetical protein 0.0034 0.0123 0.0173
Echinococcus granulosus histone lysine methyltransferase setb 0.0086 0.0527 0.0744
Echinococcus granulosus histone acetyltransferase KAT2B 0.0117 0.0766 0.108
Echinococcus multilocularis mucolipin 3 0.0076 0.0449 0.0449
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0078 0.0466 0.0466
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0034 0.0127 0.0127
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Leishmania major cathepsin L-like protease 0.0034 0.0127 0.0636
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.0422 0.0595
Loa Loa (eye worm) hypothetical protein 0.0211 0.1482 0.2058
Mycobacterium ulcerans aldehyde dehydrogenase 0.0224 0.1587 0.4185
Loa Loa (eye worm) hypothetical protein 0.0075 0.0443 0.0587
Entamoeba histolytica cysteine protease, putative 0.0034 0.0127 0.0696
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.2178 0.5953
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0078 0.0466 0.0658
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0256 0.1829 0.4999
Plasmodium vivax vivapain-2 0.0034 0.0127 0.4561
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0034 0.0127 0.6726
Loa Loa (eye worm) hypothetical protein 0.01 0.0634 0.0858
Schistosoma mansoni bromodomain containing protein 0.0123 0.0809 0.114
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0256 0.1829 0.4999
Echinococcus multilocularis survival motor neuron protein 1 0.0513 0.3803 0.3803
Echinococcus granulosus zinc finger protein 0.004 0.0172 0.0243
Onchocerca volvulus 0.0034 0.0127 0.014
Brugia malayi vesicular acetylcholine transporter unc-17 0.0941 0.7091 1
Leishmania major cathepsin L-like protease 0.013 0.0865 0.5366
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0127 0.0348
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0037 0.0149 0.021
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.004 0.0172 0.0922
Loa Loa (eye worm) glutaminase 2 0.0494 0.3658 0.514
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0078 0.0466 0.0466
Echinococcus granulosus microtubule associated protein 2 0.0565 0.42 0.5923
Loa Loa (eye worm) cysteine protease 0.0034 0.0127 0.014
Echinococcus granulosus intermediate filament protein 0.0077 0.0453 0.0639
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.1382 0.3779
Loa Loa (eye worm) intermediate filament protein 0.0077 0.0453 0.0602
Echinococcus granulosus cathepsin l1 0.0034 0.0127 0.0179
Trypanosoma brucei PAB1-binding protein , putative 0.0042 0.0189 0.2188
Brugia malayi N-terminal motif family protein 0.0211 0.1482 0.209
Brugia malayi PHD-finger family protein 0.005 0.025 0.0353
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0125 0.0827 0.0827
Brugia malayi Bromodomain containing protein 0.0076 0.0445 0.0628
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Trichomonas vaginalis set domain proteins, putative 0.0428 0.3152 0.8616
Loa Loa (eye worm) hypothetical protein 0.0134 0.0894 0.1226
Schistosoma mansoni hypothetical protein 0.0019 0.001 0.0015
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0019 0.001 0.0015
Onchocerca volvulus 0.0034 0.0127 0.014
Echinococcus multilocularis cathepsin L cysteine protease 0.0034 0.0127 0.0127
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.2178 0.5953
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0125 0.0824 0.4963
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.003 0.0097 0.044
Loa Loa (eye worm) ctsf protein 0.0034 0.0127 0.014
Brugia malayi hypothetical protein 0.01 0.0634 0.0895
Loa Loa (eye worm) hypothetical protein 0.0077 0.0453 0.0602
Schistosoma mansoni aldehyde dehydrogenase 0.0224 0.1587 0.2239
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0086 0.0527 0.0744
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0041 0.018 0.0215
Leishmania major cathepsin L-like protease 0.013 0.0865 0.5366
Brugia malayi hypothetical protein 0.0042 0.0189 0.0267
Schistosoma mansoni inositol monophosphatase 0.003 0.0097 0.0137
Echinococcus multilocularis musashi 0.0077 0.0453 0.0453
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0224 0.1587 0.1587
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0052 0.0264 0.0372
Brugia malayi Coelomocyte uptake defective protein 5 0.0076 0.0449 0.0633
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0086 0.0527 0.0744
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0078 0.0466 0.0658
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0097 0.1119
Loa Loa (eye worm) hypothetical protein 0.0034 0.0123 0.0134
Echinococcus granulosus mucolipin 3 0.0076 0.0449 0.0633
Entamoeba histolytica cysteine proteinase, putative 0.0034 0.0127 0.0696
Brugia malayi MH2 domain containing protein 0.0139 0.0934 0.1317
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0032 0.0113 0.0113
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0127 0.0348
Echinococcus granulosus inositol monophosphatase 1 0.003 0.0097 0.0137
Onchocerca volvulus 0.0247 0.1763 0.2457
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0125 0.0827 0.1166
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0123 0.0173
Schistosoma mansoni inositol monophosphatase 0.003 0.0097 0.0137
Schistosoma mansoni hypothetical protein 0.0059 0.0319 0.0449
Loa Loa (eye worm) glutaminase 0.0494 0.3658 0.514
Mycobacterium ulcerans glutaminase 0.0494 0.3658 1
Loa Loa (eye worm) bromodomain containing protein 0.0036 0.0145 0.0165
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0078 0.0466 0.062
Schistosoma mansoni cathepsin F (C01 family) 0.0034 0.0127 0.0179
Trypanosoma cruzi cysteine peptidase, putative 0.013 0.0865 1
Schistosoma mansoni cellular tumor antigen P53 0.0043 0.0197 0.0278
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0028 0.0028
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0019 0.001 0.001
Brugia malayi Cathepsin L-like precursor 0.0023 0.004 0.0057
Toxoplasma gondii aldehyde dehydrogenase 0.0224 0.1587 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0127 0.0348
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0068 0.0388 0.0388
Echinococcus multilocularis lamin dm0 0.0077 0.0453 0.0453
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0256 0.1829 0.4999
Onchocerca volvulus 0.0034 0.0127 0.014
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0054 0.0279 0.0394
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0256 0.1829 0.4999
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0077 0.0453 0.0602
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0028 0.1486
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0224 0.1587 1
Trypanosoma brucei ISWI complex protein 0.0029 0.0087 0.1011
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0042 0.0189 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0042 0.0189 0.2188
Echinococcus multilocularis geminin 0.0336 0.2447 0.2447
Entamoeba histolytica acetyltransferase, GNAT family 0.0033 0.0115 0.0628
Loa Loa (eye worm) hypothetical protein 0.0513 0.3803 0.5344
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0256 0.1829 0.4999
Loa Loa (eye worm) acetyltransferase 0.0125 0.0827 0.1131
Loa Loa (eye worm) hypothetical protein 0.0086 0.0527 0.0707
Loa Loa (eye worm) hypothetical protein 0.0073 0.0422 0.0558
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.1382 0.3779
Loa Loa (eye worm) hypothetical protein 0.0043 0.0197 0.0239
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0078 0.0466 0.0658
Brugia malayi glutaminase DH11.1 0.0494 0.3658 0.5159
Schistosoma mansoni zinc finger protein 0.004 0.0172 0.0243
Leishmania major hypothetical protein, conserved 0.0042 0.0189 0.1033
Plasmodium falciparum ataxin-2 like protein, putative 0.0042 0.0189 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0189 0.0228
Loa Loa (eye worm) inositol-1 0.003 0.0097 0.0097
Schistosoma mansoni transcription factor LCR-F1 0.0059 0.0319 0.0449
Loa Loa (eye worm) hypothetical protein 0.0084 0.0508 0.068
Onchocerca volvulus 0.0034 0.0127 0.014
Giardia lamblia Fructose-bisphosphate aldolase 0.0256 0.1829 1
Trichomonas vaginalis inositol monophosphatase, putative 0.003 0.0097 0.0265
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.0301 0.2178 0.3044
Leishmania major cathepsin L-like protease 0.013 0.0865 0.5366
Echinococcus multilocularis tumor protein p63 0.0296 0.2135 0.2135
Trichomonas vaginalis glucosylceramidase, putative 0.0208 0.1464 0.4002
Trichomonas vaginalis myo inositol monophosphatase, putative 0.003 0.0097 0.0265
Plasmodium falciparum histone acetyltransferase GCN5 0.0033 0.0115 0.6065
Schistosoma mansoni survival motor neuron protein 0.0105 0.0668 0.0942
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Echinococcus multilocularis lamin 0.0077 0.0453 0.0453
Echinococcus multilocularis inositol monophosphatase 1 0.003 0.0097 0.0097
Brugia malayi Kringle domain containing protein 0.0021 0.0028 0.004
Onchocerca volvulus Vesicular acetylcholine transporter homolog 0.0941 0.7091 1
Echinococcus granulosus geminin 0.0336 0.2447 0.3451
Leishmania major cathepsin L-like protease 0.0034 0.0127 0.0636
Loa Loa (eye worm) hypothetical protein 0.0073 0.0423 0.056
Schistosoma mansoni hypothetical protein 0.0029 0.0087 0.0123
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0043 0.0193 0.0272
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0116 0.0757 0.0757
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0028 0.0325
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0059 0.0319 0.0319
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.1382 0.3779
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0127 0.0348
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0125 0.0824 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0106 0.068 0.0959
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0123 0.0173
Brugia malayi Intermediate filament tail domain containing protein 0.0077 0.0453 0.0639
Schistosoma mansoni hypothetical protein 0.0034 0.0123 0.0173
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0256 0.1829 0.4999
Schistosoma mansoni lamin 0.0077 0.0453 0.0639
Trichomonas vaginalis glucosylceramidase, putative 0.0301 0.2178 0.5953
Trypanosoma cruzi cysteine peptidase, putative 0.013 0.0865 1
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0211 0.1482 0.2058
Echinococcus granulosus cathepsin L cysteine proteinase 0.0034 0.0127 0.0179
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0116 0.0757 0.1067
Loa Loa (eye worm) mucolipin 1 0.0076 0.0449 0.0596
Brugia malayi Cathepsin L-like precursor 0.0034 0.0127 0.0179
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0106 0.068 0.0959
Leishmania major hypothetical protein, conserved 0.0029 0.0087 0.0381
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0034 0.0127 0.014
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0224 0.1587 0.2239
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0256 0.1829 1
Onchocerca volvulus Huntingtin homolog 0.01 0.0634 0.0858
Plasmodium vivax SET domain protein, putative 0.0054 0.0279 1
Entamoeba histolytica cysteine proteinase, putative 0.0023 0.004 0.0221
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0078 0.0466 0.0658
Echinococcus multilocularis zinc finger protein 0.004 0.0172 0.0172
Onchocerca volvulus Glucosylceramidase homolog 0.0198 0.1382 0.1918
Loa Loa (eye worm) hypothetical protein 0.0106 0.068 0.0923
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0043 0.0193 0.0193
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0068 0.0388 0.0547
Trichomonas vaginalis glutaminase, putative 0.0494 0.3658 1
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.1382 0.3779
Loa Loa (eye worm) hypothetical protein 0.008 0.048 0.0641
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.003 0.0097 0.1119
Onchocerca volvulus 0.0034 0.0127 0.014
Echinococcus multilocularis GPCR, family 2 0.0034 0.0123 0.0123
Schistosoma mansoni hypothetical protein 0.0073 0.0422 0.0595
Brugia malayi Bromodomain containing protein 0.0145 0.0979 0.1381
Schistosoma mansoni hypothetical protein 0.0336 0.2447 0.3451
Onchocerca volvulus 0.0054 0.0279 0.0355
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0119 0.0778 0.8997
Treponema pallidum fructose-bisphosphate aldolase 0.0256 0.1829 0.5
Brugia malayi Pre-SET motif family protein 0.0376 0.2753 0.3883
Schistosoma mansoni zinc finger protein 0.0029 0.0087 0.0123
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0127 0.0348
Echinococcus granulosus fetal alzheimer antigen falz 0.0043 0.0193 0.0272
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0256 0.1829 0.4999
Schistosoma mansoni mucolipin 0.007 0.04 0.0564
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0123 0.0134
Schistosoma mansoni vesicular acetylcholine transporter 0.0941 0.7091 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0123 0.0173
Onchocerca volvulus 0.0034 0.0127 0.014
Trichomonas vaginalis glucosylceramidase, putative 0.0208 0.1464 0.4002
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0037 0.0149 0.0149
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0054 0.0279 0.0279
Loa Loa (eye worm) hypothetical protein 0.0034 0.0127 0.014
Loa Loa (eye worm) hypothetical protein 0.0023 0.004 0.0018
Onchocerca volvulus Huntingtin homolog 0.01 0.0634 0.0858
Loa Loa (eye worm) hypothetical protein 0.0036 0.0138 0.0156
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0028 0.004
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.013 0.0865 1
Schistosoma mansoni hypothetical protein 0.0021 0.0028 0.004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Schistosoma mansoni hypothetical protein 0.0034 0.0123 0.0173
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0034 0.0127 0.0127
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0078 0.0466 0.0658
Brugia malayi Papain family cysteine protease containing protein 0.0034 0.0127 0.0179
Trichomonas vaginalis myo inositol monophosphatase, putative 0.003 0.0097 0.0265
Trypanosoma cruzi cysteine peptidase, putative 0.0034 0.0127 0.1472
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0059 0.0319 0.0449
Loa Loa (eye worm) vesicular acetylcholine transporter unc-17 0.0941 0.7091 1
Leishmania major cathepsin L-like protease 0.0034 0.0127 0.0636
Brugia malayi Cathepsin L-like precursor 0.0023 0.004 0.0057
Schistosoma mansoni cathepsin F (C01 family) 0.0023 0.004 0.0057
Echinococcus granulosus lamin dm0 0.0077 0.0453 0.0639
Trypanosoma cruzi cruzipain precursor, putative 0.013 0.0865 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0034 0.0127 0.0348
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Brugia malayi Cathepsin L-like precursor 0.0034 0.0127 0.0179
Trypanosoma cruzi cysteine peptidase, putative 0.013 0.0865 1
Brugia malayi Cathepsin L-like precursor 0.0034 0.0127 0.0179
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348
Trichomonas vaginalis glucosylceramidase, putative 0.0198 0.1382 0.3779
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0034 0.0127 0.0348

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.459 uM In vitro inhibitory activity against factor Xa ChEMBL. 12639568
IC50 (binding) = 0.459 uM In vitro inhibitory activity against factor Xa ChEMBL. 12639568
IC50 (binding) = 0.642 uM In vitro inhibitory activity against serine protease thrombin ChEMBL. 12639568
IC50 (binding) = 0.642 uM In vitro inhibitory activity against serine protease thrombin ChEMBL. 12639568

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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