Detailed information for compound 279095

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

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.144 uM In vitro inhibitory activity against factor Xa ChEMBL. 12639568
IC50 (binding) = 0.144 uM In vitro inhibitory activity against factor Xa ChEMBL. 12639568
IC50 (binding) = 2 uM In vitro inhibitory activity against serine protease thrombin ChEMBL. 12639568
IC50 (binding) = 2 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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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