Detailed information for compound 500442

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 597.565 | Formula: C28H22F3N5O5S
  • H donors: 2 H acceptors: 6 LogP: 3.74 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: OC1CCN(c2c1cc(cc2)c1ccccc1S(=O)(=O)C)C(=O)c1cc(nn1c1ccc2c(c1)c(N)no2)C(F)(F)F
  • InChi: 1S/C28H22F3N5O5S/c1-42(39,40)24-5-3-2-4-17(24)15-6-8-20-18(12-15)22(37)10-11-35(20)27(38)21-14-25(28(29,30)31)33-36(21)16-7-9-23-19(13-16)26(32)34-41-23/h2-9,12-14,22,37H,10-11H2,1H3,(H2,32,34)
  • InChiKey: ZXZABNZWYVFDLE-UHFFFAOYSA-N  

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 protease, serine, 1 (trypsin 1) References
Homo sapiens coagulation factor X Starlite/ChEMBL References
Homo sapiens coagulation factor II (thrombin) Starlite/ChEMBL References
Homo sapiens protease, serine, 2 (trypsin 2) References
Homo sapiens protease, serine, 3 Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Brugia malayi Trypsin family protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) Get druggable targets OG5_126639 All targets in OG5_126639
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126639 All targets in OG5_126639
Schistosoma japonicum ko:K09639 transmembrane protease, serine 8, putative Get druggable targets OG5_126639 All targets in OG5_126639
Onchocerca volvulus Get druggable targets OG5_126639 All targets in OG5_126639

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi Trypsin family protein protease, serine, 1 (trypsin 1) 247 aa 287 aa 21.6 %
Schistosoma mansoni cercarial elastase (S01 family) protease, serine, 2 (trypsin 2) 247 aa 240 aa 25.8 %
Schistosoma mansoni cercarial elastase (S01 family) protease, serine, 3 261 aa 234 aa 25.2 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Plasmodium vivax hypothetical protein, conserved 0.0041 0.0277 1
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0018 0.0021 0.0029
Schistosoma mansoni egf-like domain protein 0.0016 0.0001 0.0002
Onchocerca volvulus 0.0019 0.0036 0.005
Loa Loa (eye worm) RecQ helicase 0.0025 0.0093 0.0131
Echinococcus granulosus organic anion transporting polypeptide 30B 0.0033 0.0181 0.0254
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0254
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0347 0.3609 0.5069
Echinococcus multilocularis axis inhibition protein axin 0.0022 0.0066 0.0066
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.1189 1
Trichomonas vaginalis DNA helicase recq1, putative 0.0025 0.0093 0.05
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Schistosoma mansoni sodium-bile acid cotransporter 0.0283 0.2904 0.4078
Onchocerca volvulus 0.0041 0.0277 0.039
Toxoplasma gondii kringle domain-containing protein 0.0021 0.0057 0.2031
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0057 0.1369
Onchocerca volvulus 0.0031 0.0164 0.023
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0034 0.0195 0.0274
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.0068 0.0096
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0254
Toxoplasma gondii protease inhibitor PI2 0.0022 0.0068 0.2423
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0347 0.3609 0.5069
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0133 0.0186
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0034 0.0195 0.0274
Loa Loa (eye worm) agrin synaptic family protein 0.0022 0.0068 0.0096
Echinococcus multilocularis fibrillin 1 0.0016 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0254
Brugia malayi Regulator of G protein signaling domain containing protein 0.0022 0.0066 0.0093
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0066 0.0264
Loa Loa (eye worm) cysteine protease 0.0019 0.0036 0.005
Brugia malayi Cathepsin L-like precursor 0.0019 0.0036 0.005
Leishmania major cathepsin L-like protease 0.0073 0.0626 0.5117
Brugia malayi sodium-independent organic anion transporter family protein 0.0033 0.0181 0.0254
Echinococcus multilocularis laminin 0.0016 0.0001 0.0001
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.0274
Echinococcus multilocularis expressed protein 0.0022 0.0068 0.0068
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0066 0.0093
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0036 0.005
Echinococcus multilocularis Solute carrier organic anion transporter family 0.0033 0.0181 0.0181
Loa Loa (eye worm) PXA domain-containing protein 0.0022 0.0066 0.0093
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0034 0.0195 0.0274
Echinococcus multilocularis enteropeptidase 0.0028 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0022 0.0068 0.0096
Echinococcus granulosus beta LACTamase domain containing family member 0.0041 0.0277 0.039
Echinococcus multilocularis organic anion transporting polypeptide 30B 0.0033 0.0181 0.0181
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0034 0.0195 0.0274
Loa Loa (eye worm) hypothetical protein 0.0511 0.5395 0.7578
Loa Loa (eye worm) hypothetical protein 0.0022 0.0068 0.0096
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0068 0.2423
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0034 0.0195 0.0274
Onchocerca volvulus 0.0034 0.0195 0.0274
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0022 0.0066 0.0093
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0254
Loa Loa (eye worm) hypothetical protein 0.0041 0.0277 0.039
Brugia malayi Kringle domain containing protein 0.0021 0.0057 0.0081
Trichomonas vaginalis 6-phosphofructokinase, putative 0.0034 0.0194 0.1373
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0018 0.0021 0.0029
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Brugia malayi beta-lactamase 0.0041 0.0277 0.039
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0029
Mycobacterium ulcerans beta-lactamase 0.0041 0.0277 0.1369
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0034 0.0195 0.0274
Schistosoma mansoni sodium-bile acid cotransporter related 0.067 0.7119 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0254
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0066 0.0093
Schistosoma mansoni sodium-bile acid cotransporter related 0.0387 0.4041 0.5677
Loa Loa (eye worm) hypothetical protein 0.0108 0.0998 0.1402
Onchocerca volvulus Arrow homolog 0.0016 0.0001 0.0002
Brugia malayi Sodium Bile acid symporter family protein 0.067 0.7119 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0067 0.0557 0.4515
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0194 0.1373
Loa Loa (eye worm) hypothetical protein 0.0041 0.0277 0.039
Echinococcus granulosus glycoprotein Antigen 5 0.0028 0.0133 0.0186
Echinococcus multilocularis lamin 0.0031 0.0164 0.0164
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0195 0.0274
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0195 0.0274
Onchocerca volvulus 0.0028 0.0133 0.0186
Onchocerca volvulus 0.0347 0.3609 0.5069
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Mycobacterium ulcerans 6-phosphofructokinase 0.0125 0.1189 1
Schistosoma mansoni hypothetical protein 0.0021 0.0057 0.0081
Schistosoma mansoni axis inhibition protein axin 0.0022 0.0066 0.0093
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0194 0.1373
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.0274
Echinococcus multilocularis regulator of G protein signaling 3 0.0022 0.0066 0.0066
Loa Loa (eye worm) hypothetical protein 0.0022 0.0066 0.0093
Onchocerca volvulus 0.0031 0.0164 0.023
Brugia malayi sodium-independent organic anion transporter family protein 0.0033 0.0181 0.0254
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0036 0.0036
Echinococcus multilocularis axis inhibition protein axin 0.0022 0.0066 0.0066
Schistosoma mansoni lamin 0.0031 0.0164 0.023
Echinococcus granulosus beta-adrenergic receptor kinase 0.0022 0.0066 0.0093
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0001 0.0002
Schistosoma mansoni agrin 0.0022 0.0068 0.0096
Onchocerca volvulus Putative organic anion transporter 0.0033 0.0181 0.0254
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0265 0.2712 1
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0277 0.2095
Brugia malayi Chymotrypsin-like protease CTRL-1 precursor 0.0028 0.0133 0.0186
Trypanosoma cruzi cruzipain precursor, putative 0.0073 0.0626 0.5117
Echinococcus granulosus axis inhibition protein axin 0.0022 0.0066 0.0093
Brugia malayi prostaglandin transporter 0.0033 0.0181 0.0254
Loa Loa (eye worm) kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0068 0.0096
Brugia malayi hypothetical protein 0.0033 0.0181 0.0254
Brugia malayi Nuclear hormone receptor-like 1 0.0034 0.0195 0.0274
Loa Loa (eye worm) hypothetical protein 0.0022 0.0066 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0034 0.0195 0.0274
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0034 0.0195 0.0195
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Schistosoma mansoni nuclear hormone receptor 0.0034 0.0195 0.0274
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.0274
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.1189 1
Brugia malayi Regulator of G protein signaling domain containing protein 0.0022 0.0066 0.0093
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0007 0.001
Toxoplasma gondii transporter, major facilitator family protein 0.0033 0.0181 0.6506
Schistosoma mansoni 6-phosphofructokinase 0.0125 0.1189 0.1671
Brugia malayi phosphofructokinase 0.0125 0.1189 0.1671
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.0274
Echinococcus multilocularis subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0016 0.0001 0.0002
Echinococcus granulosus follistatin 0.0022 0.0068 0.0096
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0041 0.0277 0.039
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0066 0.0093
Loa Loa (eye worm) hypothetical protein 0.003 0.0158 0.0222
Brugia malayi regulator of G-protein signaling rgs-7 0.0022 0.0066 0.0093
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0133 0.0186
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Loa Loa (eye worm) hypothetical protein 0.0016 0.0001 0.0002
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0019 0.0036 0.005
Schistosoma mansoni hypothetical protein 0.0195 0.1952 0.2741
Onchocerca volvulus 0.0019 0.0036 0.005
Echinococcus multilocularis Tolloid protein 1 0.0016 0.0001 0.0001
Brugia malayi regulator of G-protein signaling egl-10 0.0022 0.0066 0.0093
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0034 0.0195 0.0274
Loa Loa (eye worm) 6-phosphofructokinase 0.0125 0.1189 0.1671
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0194 0.1373
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0034 0.0195 0.0274
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0066 0.0264
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0195 0.0195
Mycobacterium tuberculosis Probable 6-phosphofructokinase PfkA (phosphohexokinase) (phosphofructokinase) 0.0125 0.1189 0.3747
Loa Loa (eye worm) hypothetical protein 0.0022 0.0068 0.0096
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0254
Onchocerca volvulus 0.067 0.7119 1
Brugia malayi Cathepsin L-like precursor 0.0019 0.0036 0.005
Loa Loa (eye worm) hypothetical protein 0.0028 0.0133 0.0186
Echinococcus multilocularis musashi 0.0031 0.0164 0.0164
Onchocerca volvulus 0.0033 0.0181 0.0254
Giardia lamblia Pyrophosphate-fructose 6-phosphate 1-phosphotransferase alpha subunit 0.0034 0.0194 0.5
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.0274
Echinococcus granulosus intermediate filament protein 0.0031 0.0164 0.023
Brugia malayi secreted modular calcium-binding protein 1 0.0022 0.0068 0.0096
Loa Loa (eye worm) hypothetical protein 0.067 0.7119 1
Schistosoma mansoni hypothetical protein 0.0195 0.1952 0.2741
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0029
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0016 0.0004 0.0116
Loa Loa (eye worm) hypothetical protein 0.0022 0.0068 0.0096
Loa Loa (eye worm) hypothetical protein 0.0347 0.3609 0.5069
Echinococcus granulosus Solute carrier organic anion transporter family 0.0033 0.0181 0.0254
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0016 0.0001 0.0002
Schistosoma mansoni blooms syndrome DNA helicase 0.0019 0.0037 0.0052
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0277 0.2095
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0195 0.0274
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Echinococcus multilocularis Regulator of G protein signaling 20 0.0022 0.0066 0.0066
Leishmania major ATP-dependent phosphofructokinase 0.0125 0.1189 1
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0022 0.0066 0.0093
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0057 0.0081
Loa Loa (eye worm) hypothetical protein 0.0022 0.0066 0.0093
Echinococcus multilocularis ecdysone induced protein 78C 0.0034 0.0195 0.0195
Toxoplasma gondii 6-phosphofructokinase 0.0034 0.0194 0.6983
Loa Loa (eye worm) hypothetical protein 0.0041 0.0277 0.039
Brugia malayi hypothetical protein 0.0033 0.0181 0.0254
Echinococcus granulosus Peptidase S1 S6 chymotrypsin Hap 0.0028 0.0133 0.0186
Echinococcus multilocularis beta LACTamase domain containing family member 0.0041 0.0277 0.0277
Echinococcus multilocularis geminin 0.0195 0.1952 0.1952
Onchocerca volvulus 0.0028 0.0133 0.0186
Echinococcus granulosus enteropeptidase 0.0028 0.0133 0.0186
Onchocerca volvulus 0.0033 0.0181 0.0254
Echinococcus multilocularis Peptidase S1 S6, chymotrypsin Hap 0.0028 0.0133 0.0133
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0066 0.0264
Echinococcus granulosus sodium bile acid cotransporter 0.067 0.7119 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0007 0.001
Echinococcus multilocularis agrin 0.0022 0.0068 0.0068
Loa Loa (eye worm) phosphofructokinase 0.0125 0.1189 0.1671
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0195 0.0274
Onchocerca volvulus 0.0033 0.0181 0.0254
Loa Loa (eye worm) ctsf protein 0.0019 0.0036 0.005
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0034 0.0195 0.0274
Mycobacterium ulcerans esterase/lipase LipP 0.0041 0.0277 0.1369
Loa Loa (eye worm) 6-phosphofructokinase 0.0125 0.1189 0.1671
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0626 0.5117
Loa Loa (eye worm) hypothetical protein 0.0041 0.0277 0.039
Echinococcus multilocularis expressed protein 0.043 0.4509 0.4509
Brugia malayi PXA domain containing protein 0.0022 0.0066 0.0093
Onchocerca volvulus 0.0319 0.3302 0.4638
Schistosoma mansoni lamin 0.0031 0.0164 0.023
Brugia malayi Calcium binding EGF domain containing protein 0.0016 0.0001 0.0002
Onchocerca volvulus 0.0022 0.0068 0.0096
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0029
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0066 0.0093
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0036 0.005
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0022 0.0066 0.0264
Echinococcus granulosus Tolloid protein 1 0.0016 0.0001 0.0002
Schistosoma mansoni intermediate filament proteins 0.0031 0.0164 0.023
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0022 0.0066 0.0093
Echinococcus multilocularis follistatin 0.0022 0.0068 0.0068
Echinococcus multilocularis 6 phosphofructokinase 0.0125 0.1189 0.1189
Brugia malayi hypothetical protein 0.0018 0.0021 0.0029
Brugia malayi A-kinase anchor protein 10, precursor 0.0022 0.0066 0.0093
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0018 0.0021 0.0029
Echinococcus multilocularis cysteine protease 0.0019 0.0036 0.0036
Echinococcus granulosus laminin 0.0016 0.0001 0.0002
Trichomonas vaginalis penicillin-binding protein, putative 0.0041 0.0277 0.2095
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.0274
Echinococcus granulosus expressed protein 0.043 0.4509 0.6333
Onchocerca volvulus 0.0021 0.0057 0.0081
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0034 0.0195 0.0274
Toxoplasma gondii phosphofructokinase domain-containing protein 0.0034 0.0194 0.6983
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.0068 0.0096
Leishmania major hypothetical protein, conserved 0.0041 0.0277 0.2095
Onchocerca volvulus Bile acid receptor homolog 0.0034 0.0195 0.0274
Brugia malayi Trypsin family protein 0.0028 0.0133 0.0186
Echinococcus multilocularis Mastin 0.0028 0.0133 0.0133
Loa Loa (eye worm) hypothetical protein 0.0016 0.0001 0.0002
Brugia malayi Papain family cysteine protease containing protein 0.0019 0.0036 0.005
Echinococcus granulosus sodium bile acid cotransporter 0.067 0.7119 1
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0626 0.5117
Onchocerca volvulus 0.0019 0.0036 0.005
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0022 0.0066 0.0093
Echinococcus granulosus cathepsin l1 0.0019 0.0036 0.005
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0194 0.1373
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0068 0.2423
Onchocerca volvulus 0.0019 0.0036 0.005
Echinococcus multilocularis sodium bile acid cotransporter 0.067 0.7119 0.7119
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0066 0.0093
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0277 0.2095
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0277 0.2095
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0022 0.0066 0.0093
Echinococcus multilocularis regulator of G protein signaling 3 0.0022 0.0066 0.0066
Leishmania major cathepsin L-like protease 0.0073 0.0626 0.5117
Trypanosoma cruzi major cysteine proteinase, putative 0.0058 0.0455 0.3632
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0022 0.0066 0.0066
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0066 0.0264
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0133 0.0186
Loa Loa (eye worm) beta-lactamase 0.0041 0.0277 0.039
Brugia malayi Trypsin family protein 0.0028 0.0133 0.0186
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0034 0.0195 0.0274
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0194 1
Echinococcus multilocularis bloom syndrome protein 0.0025 0.0093 0.0093
Trichomonas vaginalis esterase, putative 0.0041 0.0277 0.2095
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0034 0.0195 0.0274
Plasmodium falciparum ATP-dependent 6-phosphofructokinase 0.0034 0.0194 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0034 0.0195 0.0274
Loa Loa (eye worm) hypothetical protein 0.0041 0.0277 0.039
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0057 0.0057
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0277 0.039
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0034 0.0195 0.0274
Echinococcus multilocularis regulator of G protein signaling 7 0.0022 0.0066 0.0066
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0041 0.0277 0.1369
Brugia malayi Cathepsin L-like precursor 0.0019 0.0036 0.005
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0195 0.0274
Echinococcus granulosus subfamily S1A unassigned peptidase S01 family 0.0028 0.0133 0.0186
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0016 0.0001 0.0002
Schistosoma mansoni hypothetical protein 0.0028 0.0133 0.0186
Brugia malayi SPARC precursor 0.0022 0.0068 0.0096
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0066 0.0093
Trichomonas vaginalis DNA helicase recq, putative 0.0025 0.0093 0.05
Onchocerca volvulus Phospholipase A2 homolog 0.0108 0.0998 0.1402
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0057 0.0188
Echinococcus granulosus 6 phosphofructokinase 0.0125 0.1189 0.1671
Schistosoma mansoni organic anion transporter 0.0033 0.0181 0.0254
Echinococcus multilocularis lamin dm0 0.0031 0.0164 0.0164
Echinococcus multilocularis cathepsin L cysteine protease 0.0019 0.0036 0.0036
Mycobacterium ulcerans lipase LipD 0.0041 0.0277 0.1369
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.1189 1
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0068 0.2423
Brugia malayi Trypsin family protein 0.0347 0.3609 0.5069
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Treponema pallidum diphosphate--fructose-6-phosphate 1-phosphotransferase 0.0125 0.1189 1
Brugia malayi Trypsin-like protease protein 5 0.0028 0.0133 0.0186
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.0068 0.0096
Plasmodium vivax vivapain-2 0.0019 0.0036 0.1073
Brugia malayi Steroid receptor seven-up type 2 0.0034 0.0195 0.0274
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.0274
Brugia malayi beta-lactamase family protein 0.0041 0.0277 0.039
Schistosoma mansoni RAR-like nuclear receptor 0.0034 0.0195 0.0274
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.0125 0.1189 1
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0034 0.0195 0.0274
Onchocerca volvulus 0.0019 0.0036 0.005
Mycobacterium leprae PROBABLE 6-PHOSPHOFRUCTOKINASE PFKA (PHOSPHOHEXOKINASE) (PHOSPHOFRUCTOKINASE) 0.0125 0.1189 1
Echinococcus multilocularis beta adrenergic receptor kinase 0.0022 0.0066 0.0066
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0041 0.0277 0.039
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0034 0.0195 0.0195
Echinococcus granulosus lamin dm0 0.0031 0.0164 0.023
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Loa Loa (eye worm) hypothetical protein 0.0028 0.0133 0.0186
Echinococcus granulosus bloom syndrome protein 0.0025 0.0093 0.0131
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0164 0.023
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0164 0.023
Brugia malayi beta-lactamase family protein 0.0041 0.0277 0.039
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0194 0.1373
Loa Loa (eye worm) hypothetical protein 0.0022 0.0066 0.0093
Brugia malayi Fibulin-1 precursor 0.0016 0.0001 0.0002
Echinococcus granulosus FTZ F1 alpha 0.0034 0.0195 0.0274
Plasmodium vivax vivapain-2 0.0019 0.0036 0.1073
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0036 0.0036
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Brugia malayi Cathepsin L-like precursor 0.0019 0.0036 0.005
Brugia malayi Bloom's syndrome protein homolog 0.0025 0.0093 0.0131
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0028 0.0133 0.0186
Onchocerca volvulus 0.0028 0.0133 0.0186
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Echinococcus granulosus regulator of G protein signaling 7 0.0022 0.0066 0.0093
Brugia malayi Kazal-type serine protease inhibitor domain containing protein 0.0022 0.0068 0.0096
Schistosoma mansoni coup transcription factor 0.0034 0.0195 0.0274
Trichomonas vaginalis phosphofructokinase, putative 0.0034 0.0194 0.1373
Schistosoma mansoni follistatin 0.0022 0.0068 0.0096
Onchocerca volvulus 0.0033 0.0181 0.0254
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0029
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0194 0.6923
Mycobacterium ulcerans hypothetical protein 0.0041 0.0277 0.1369
Plasmodium vivax 6-phosphofructokinase, putative 0.0034 0.0194 0.6923
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.1189 1
Brugia malayi intermediate filament protein 0.0031 0.0164 0.023
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Loa Loa (eye worm) steroid hormone receptor 0.0034 0.0195 0.0274
Loa Loa (eye worm) fibroinase 0.0019 0.0036 0.005
Toxoplasma gondii ABC1 family protein 0.0041 0.0277 1
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0034 0.0195 0.0274
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0057 0.1874
Brugia malayi nuclear receptor NHR-88 0.0034 0.0195 0.0274
Loa Loa (eye worm) hypothetical protein 0.0016 0.0001 0.0002
Brugia malayi Trypsin family protein 0.0028 0.0133 0.0186
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0034 0.0195 0.0274
Toxoplasma gondii Kazal-type serine protease inhibitor domain-containing protein 0.0022 0.0068 0.2423
Brugia malayi steroid hormone receptor 0.0034 0.0195 0.0274
Brugia malayi 6-phosphofructokinase 0.0125 0.1189 0.1671
Brugia malayi Cathepsin L-like precursor 0.0019 0.0036 0.005
Brugia malayi photoreceptor-specific nuclear receptor 0.0034 0.0195 0.0274
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0022 0.0066 0.0093
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0034 0.0195 0.0274
Brugia malayi PXA domain containing protein 0.0022 0.0066 0.0093
Schistosoma mansoni axis inhibition protein axin 0.0022 0.0066 0.0093
Onchocerca volvulus 0.0019 0.0036 0.005
Loa Loa (eye worm) hypothetical protein 0.0033 0.0181 0.0254
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0066 0.0264
Schistosoma mansoni steroid hormone receptor ad4bp 0.0034 0.0195 0.0274
Echinococcus granulosus regulator of G protein signaling 7 0.0022 0.0066 0.0093
Trypanosoma cruzi cysteine peptidase, putative 0.0073 0.0626 0.5117
Onchocerca volvulus Cathepsin L homolog 0.0019 0.0036 0.005
Entamoeba histolytica hypothetical protein 0.0022 0.0066 0.0264
Leishmania major hypothetical protein, conserved 0.0021 0.0057 0.0188
Loa Loa (eye worm) hypothetical protein 0.0028 0.0133 0.0186
Echinococcus multilocularis thyroid hormone receptor alpha 0.0034 0.0195 0.0195
Onchocerca volvulus Putative organic anion transporter 0.0033 0.0181 0.0254
Leishmania major cathepsin L-like protease 0.0073 0.0626 0.5117
Onchocerca volvulus 0.0028 0.0133 0.0186
Echinococcus granulosus geminin 0.0195 0.1952 0.2741
Echinococcus granulosus agrin 0.0022 0.0068 0.0096
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0034 0.0195 0.0274
Loa Loa (eye worm) hypothetical protein 0.0019 0.0036 0.005
Loa Loa (eye worm) hypothetical protein 0.0022 0.0066 0.0093
Loa Loa (eye worm) hypothetical protein 0.0347 0.3609 0.5069
Echinococcus granulosus ecdysone induced protein 78C 0.0034 0.0195 0.0274
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0194 0.5
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Brugia malayi Cathepsin L-like precursor 0.0019 0.0036 0.005
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0041 0.0277 0.039
Loa Loa (eye worm) hypothetical protein 0.002 0.0039 0.0055
Echinococcus granulosus regulator of G protein signaling 3 0.0022 0.0066 0.0093
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0029
Loa Loa (eye worm) trypsin family protein 0.0028 0.0133 0.0186
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0019 0.0036 0.005
Echinococcus multilocularis regulator of G protein signaling 7 0.0022 0.0066 0.0066
Loa Loa (eye worm) RGS-3 protein 0.0022 0.0066 0.0093
Onchocerca volvulus 0.0019 0.0036 0.005
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0133 0.0186
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0018 0.0021 0.0021
Trichomonas vaginalis D-aminoacylase, putative 0.0041 0.0277 0.2095
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0022 0.0061 0.1587
Echinococcus multilocularis sodium bile acid cotransporter 0.067 0.7119 0.7119
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Brugia malayi hypothetical protein 0.0028 0.0133 0.0186
Schistosoma mansoni 6-phosphofructokinase 0.0125 0.1189 0.1671
Schistosoma mansoni hypothetical protein 0.0028 0.0133 0.0186
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0019 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0034 0.0195 0.0274
Echinococcus granulosus cathepsin l cysteine peptidase 0.0019 0.0036 0.005
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0021 0.0029
Loa Loa (eye worm) hypothetical protein 0.0021 0.0057 0.0081
Echinococcus granulosus Mastin 0.0028 0.0133 0.0186
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.0125 0.1189 1
Loa Loa (eye worm) sodium-independent organic anion transporter 0.0033 0.0181 0.0254
Loa Loa (eye worm) hypothetical protein 0.0031 0.0164 0.023
Onchocerca volvulus 0.0041 0.0277 0.039
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0034 0.0195 0.0274
Brugia malayi hypothetical protein 0.0022 0.0066 0.0093
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0034 0.0195 0.0195
Onchocerca volvulus 0.0033 0.0181 0.0254
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0028 0.0133 0.0186
Echinococcus granulosus lamin 0.0031 0.0164 0.023
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0001 0.0002
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0022 0.0066 0.0093
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0164 0.023
Schistosoma mansoni cathepsin F (C01 family) 0.0019 0.0036 0.005
Brugia malayi Protein kinase domain containing protein 0.0021 0.0057 0.0081
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0034 0.0195 0.0274
Onchocerca volvulus Phospholipase A2 homolog 0.0511 0.5395 0.7578
Echinococcus granulosus transmembrane protease serine 3 0.0028 0.0133 0.0186
Onchocerca volvulus 0.0028 0.0133 0.0186
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0034 0.0195 0.0274
Loa Loa (eye worm) hypothetical protein 0.0022 0.0066 0.0093
Schistosoma mansoni z-protein (S1r protein) 0.0022 0.0066 0.0093
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0034 0.0195 0.0274
Chlamydia trachomatis fructose-6-phosphate phosphotransferase 0.0034 0.0194 0.5
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0034 0.0195 0.0274
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0034 0.0195 0.0195
Schistosoma mansoni retinoic acid receptor RXR 0.0034 0.0195 0.0274
Echinococcus multilocularis glycoprotein Antigen 5 0.0028 0.0133 0.0133
Echinococcus granulosus regulator of G protein signaling 3 0.0022 0.0066 0.0093
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0018 0.0021 0.0029
Schistosoma mansoni thyroid hormone receptor 0.0034 0.0195 0.0274
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0034 0.0195 0.0274
Echinococcus multilocularis cysteine protease 0.0019 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0016 0.0001 0.0002
Onchocerca volvulus Putative organic anion transporter 0.0033 0.0181 0.0254
Brugia malayi nuclear hormone receptor 0.0034 0.0195 0.0274
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0034 0.0195 0.0274
Schistosoma mansoni regulator of G protein signaling 0.0022 0.0066 0.0093
Brugia malayi ecdysteroid receptor 0.0034 0.0195 0.0274
Toxoplasma gondii cathepsin CPL 0.0019 0.0036 0.1246
Brugia malayi hypothetical protein 0.0022 0.0066 0.0093
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.1189 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0133 0.0186
Onchocerca volvulus 0.0041 0.0277 0.039
Schistosoma mansoni cercarial elastase (S01 family) 0.0028 0.0133 0.0186
Brugia malayi 6-phosphofructokinase 0.0125 0.1189 0.1671
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0016 0.0001 0.0002
Loa Loa (eye worm) hypothetical protein 0.0028 0.0133 0.0186
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0034 0.0195 0.0274
Echinococcus granulosus cathepsin L cysteine proteinase 0.0019 0.0036 0.005
Brugia malayi Nuclear hormone receptor-like 1 0.0018 0.0021 0.0029
Brugia malayi hypothetical protein 0.0018 0.0021 0.0029
Brugia malayi sodium-independent organic anion transporter family protein 0.0033 0.0181 0.0254
Schistosoma mansoni serine/threonine protein kinase 0.0022 0.0066 0.0093
Echinococcus multilocularis transmembrane protease serine 3 0.0028 0.0133 0.0133
Trichomonas vaginalis conserved hypothetical protein 0.0022 0.0066 0.0264
Brugia malayi nuclear receptor RXR 0.0018 0.0021 0.0029
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0022 0.0066 0.0093
Echinococcus granulosus sodium bile acid cotransporter 0.067 0.7119 1
Echinococcus multilocularis sodium bile acid cotransporter 0.067 0.7119 0.7119
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0034 0.0195 0.0274
Entamoeba histolytica hypothetical protein 0.0022 0.0066 0.0264
Brugia malayi Phospholipase A2 family protein 0.0108 0.0998 0.1402
Trypanosoma cruzi MFS transporter, putative 0.0033 0.0181 0.1259
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0277 0.2095
Echinococcus granulosus Regulator of G protein signaling 20 0.0022 0.0066 0.0093
Schistosoma mansoni organic anion transporter 0.0033 0.0181 0.0254
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0073 0.0626 0.3823
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0034 0.0195 0.0274
Entamoeba histolytica pyrophosphate-dependent phosphofructokinase 0.0034 0.0194 0.1373
Onchocerca volvulus Cathepsin F homolog 0.0019 0.0036 0.005
Entamoeba histolytica phosphofructokinase, putative 0.0125 0.1189 1
Trichomonas vaginalis phosphofructokinase, putative 0.0125 0.1189 1
Echinococcus multilocularis FTZ F1 alpha 0.0034 0.0195 0.0195
Echinococcus multilocularis regulator of G protein signaling 0.0022 0.0066 0.0066
Onchocerca volvulus Protein ultraspiracle homolog 0.0034 0.0195 0.0274
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0057 0.0081
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0034 0.0195 0.0195
Echinococcus granulosus axis inhibition protein axin 0.0022 0.0066 0.0093
Toxoplasma gondii phosphofructokinase PFKII 0.0034 0.0194 0.6983
Entamoeba histolytica hypothetical protein 0.0022 0.0066 0.0264
Loa Loa (eye worm) hypothetical protein 0.0041 0.0277 0.039

Activities

Activity type Activity value Assay description Source Reference
Ki (binding) = 1400 nM Inhibition of human factor 10a ChEMBL. 17933529
Ki (binding) = 1400 nM Inhibition of human factor 10a ChEMBL. 17933529
Ki (binding) > 4200 nM Inhibition of human trypsin ChEMBL. 17933529
Ki (binding) > 4200 nM Inhibition of human trypsin ChEMBL. 17933529
Ki (binding) > 6300 nM Inhibition of human thrombin ChEMBL. 17933529
Ki (binding) > 6300 nM Inhibition of human thrombin ChEMBL. 17933529

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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