Detailed information for compound 225581

Basic information

Technical information
  • TDR Targets ID: 225581
  • Name: 2-[(4-chlorophenyl)methylsulfanyl]-5-(pyridin -3-ylmethyl)-1H-pyrimidin-6-one
  • MW: 343.831 | Formula: C17H14ClN3OS
  • H donors: 1 H acceptors: 4 LogP: 4 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1ccc(cc1)CSc1ncc(c(n1)O)Cc1cccnc1
  • InChi: 1S/C17H14ClN3OS/c18-15-5-3-12(4-6-15)11-23-17-20-10-14(16(22)21-17)8-13-2-1-7-19-9-13/h1-7,9-10H,8,11H2,(H,20,21,22)
  • InChiKey: VUTFODMAZYPDOF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[(4-chlorophenyl)methylsulfanyl]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one
  • 2-[(4-chlorophenyl)methylthio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one
  • 2-[(4-chlorobenzyl)thio]-5-(3-pyridylmethyl)-1H-pyrimidin-6-one
  • 2-[(4-chlorophenyl)methylsulfanyl]-5-(pyridin-3-ylmethyl)-3H-pyrimidin-4-one
  • 2-[(4-chlorophenyl)methylsulfanyl]-5-(3-pyridylmethyl)-3H-pyrimidin-4-one
  • 2-[(4-chlorophenyl)methylthio]-5-(3-pyridylmethyl)-3H-pyrimidin-4-one
  • 2-[(4-chlorobenzyl)thio]-5-(3-pyridylmethyl)-3H-pyrimidin-4-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens phospholipase A2, group VII (platelet-activating factor acetylhydrolase, plasma) Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania donovani phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania infantum phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania mexicana phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania braziliensis phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma cruzi phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma brucei phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Loa Loa (eye worm) platelet-activating factor acetylhydrolase Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma congolense phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma cruzi phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
Trypanosoma brucei gambiense phospholipase A2-like protein, putative Get druggable targets OG5_129351 All targets in OG5_129351
Onchocerca volvulus Get druggable targets OG5_129351 All targets in OG5_129351
Leishmania major phospholipase A1, putative Get druggable targets OG5_129351 All targets in OG5_129351
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
Mycobacterium ulcerans aldehyde dehydrogenase 0.0187 0.0671 0.2761
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0121 0.1452
Entamoeba histolytica acetyltransferase, GNAT family 0.0042 0.0074 0.005
Trypanosoma brucei phospholipase A1, putative 0.0402 0.1551 1
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.005 0.0002
Brugia malayi N-terminal motif family protein 0.0181 0.0647 0.0635
Brugia malayi jmjC domain containing protein 0.007 0.0188 0.0176
Schistosoma mansoni chromobox protein 0.0221 0.0811 0.0811
Schistosoma mansoni hypothetical protein 0.0033 0.0037 0.0037
Brugia malayi acetyltransferase, GNAT family protein 0.0158 0.0552 0.0541
Trichomonas vaginalis Heterochromatin protein, putative 0.0036 0.005 0.0002
Plasmodium vivax JmjC domain containing protein 0.007 0.0188 0.2802
Echinococcus multilocularis chromobox protein 1 0.0221 0.0811 0.0811
Schistosoma mansoni neuroligin 3 (S09 family) 0.0415 0.1608 0.1608
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0415 0.1608 0.1608
Loa Loa (eye worm) hypothetical protein 0.0105 0.0331 0.0331
Echinococcus granulosus histone lysine methyltransferase setb 0.0175 0.062 0.062
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0039 0.0062 0.0086
Brugia malayi Carboxylesterase family protein 0.0415 0.1608 0.1597
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.01 0.1024
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.008 0.0062
Echinococcus multilocularis acetylcholinesterase 0.2458 1 1
Mycobacterium ulcerans carboxylesterase, LipT 0.0415 0.1608 0.6924
Trichomonas vaginalis chromobox protein, putative 0.0221 0.0811 0.1547
Loa Loa (eye worm) hypothetical protein 0.0415 0.1608 0.1608
Loa Loa (eye worm) hypothetical protein 0.0415 0.1608 0.1608
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0415 0.1608 0.1608
Echinococcus multilocularis lysine specific demethylase 6a 0.007 0.0188 0.0188
Loa Loa (eye worm) hypothetical protein 0.0036 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0036 0.0049 0.0049
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0121 0.0479
Echinococcus granulosus phd:f box containing protein 0.007 0.0188 0.0188
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0028 0.0015 0.0015
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0289 0.0289
Onchocerca volvulus 0.0036 0.0049 0.0075
Brugia malayi AF-10 protein 0.0039 0.0062 0.005
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0157 0.0545 0.0545
Brugia malayi Bromodomain containing protein 0.0088 0.0262 0.025
Plasmodium falciparum histone acetyltransferase GCN5 0.0042 0.0074 0.0691
Echinococcus multilocularis lysine specific demethylase 5A 0.0262 0.0977 0.0977
Loa Loa (eye worm) hypothetical protein 0.2458 1 1
Trichomonas vaginalis chromobox protein, putative 0.0036 0.005 0.0002
Echinococcus multilocularis peregrin 0.0126 0.042 0.042
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0124 0.0411 0.0804
Brugia malayi Valyl-tRNA synthetase 0.0036 0.005 0.0038
Echinococcus multilocularis JmjC domain containing protein 4 0.007 0.0188 0.0188
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0124 0.0411 0.0411
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.005 0.0105 0.0114
Loa Loa (eye worm) hypothetical protein 0.0045 0.0085 0.0085
Schistosoma mansoni protein phosphatase 2C 0.007 0.0188 0.0188
Brugia malayi Protein cec-1. 0.0036 0.005 0.0038
Loa Loa (eye worm) hypothetical protein 0.0026 0.001 0.001
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.007 0.0188 0.0925
Onchocerca volvulus 0.0036 0.0049 0.0075
Plasmodium vivax hypothetical protein, conserved 0.0036 0.005 0.0018
Schistosoma mansoni hypothetical protein 0.0033 0.0037 0.0037
Loa Loa (eye worm) beta-lactamase 0.0036 0.0049 0.0049
Echinococcus granulosus cpg binding protein 0.0065 0.0167 0.0167
Schistosoma mansoni lamin 0.0027 0.0012 0.0012
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1195 0.4812 0.9672
Schistosoma mansoni jumonji domain containing protein 0.0429 0.1663 0.1663
Loa Loa (eye worm) hypothetical protein 0.0415 0.1608 0.1608
Schistosoma mansoni hypothetical protein 0.0036 0.005 0.005
Echinococcus multilocularis Chromo domain 0.0036 0.005 0.005
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0036 0.005 0.005
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1195 0.4812 0.9672
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.0658 0.4052
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.006 0.006
Trichomonas vaginalis chromobox protein, putative 0.0221 0.0811 0.1547
Loa Loa (eye worm) hypothetical protein 0.007 0.0188 0.0188
Trichomonas vaginalis set domain proteins, putative 0.1234 0.4973 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0158 0.0552 0.0552
Echinococcus granulosus JmjC domain containing protein 4 0.007 0.0188 0.0188
Echinococcus granulosus para nitrobenzyl esterase 0.0415 0.1608 0.1608
Brugia malayi Carboxylesterase family protein 0.2458 1 1
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0188 0.0188
Schistosoma mansoni jumonji/arid domain-containing protein 0.0267 0.1 0.1
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Schistosoma mansoni intermediate filament proteins 0.0027 0.0012 0.0012
Brugia malayi hypothetical protein 0.0035 0.0043 0.0031
Loa Loa (eye worm) CXXC zinc finger family protein 0.0059 0.0145 0.0144
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1195 0.4812 0.9672
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0049 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.005 0.0002
Onchocerca volvulus 0.0402 0.1551 0.3102
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0415 0.1608 0.1608
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0037 0.0025
Loa Loa (eye worm) hypothetical protein 0.0415 0.1608 0.1608
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0289 0.0289
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0157 0.0545 0.0545
Plasmodium falciparum JmjC domain-containing protein, putative 0.007 0.0188 0.4018
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0049 0.0049
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.01 0.0817
Echinococcus granulosus jumonji domain containing 1A 0.007 0.0188 0.0188
Echinococcus granulosus Chromobox protein 3 0.0036 0.005 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0411 0.0735
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0289 0.0289
Echinococcus multilocularis para nitrobenzyl esterase 0.0415 0.1608 0.1608
Loa Loa (eye worm) hypothetical protein 0.0181 0.0647 0.0647
Onchocerca volvulus 0.0036 0.005 0.0077
Brugia malayi F/Y-rich N-terminus family protein 0.0065 0.0168 0.0156
Loa Loa (eye worm) hypothetical protein 0.0036 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0036 0.0049 0.0049
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0509 0.1994 0.1994
Echinococcus granulosus neuroligin 0.0415 0.1608 0.1608
Schistosoma mansoni cpg binding protein 0.0065 0.0167 0.0167
Schistosoma mansoni aldehyde dehydrogenase 0.0187 0.0671 0.0671
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0049 0.0037
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0028 0.0015 0.0015
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0187 0.0671 0.0671
Onchocerca volvulus 0.0036 0.005 0.0077
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0036 0.005 0.0014
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.005 0.0002
Plasmodium vivax hypothetical protein, conserved 0.0036 0.005 0.0018
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0036 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0415 0.1608 0.1608
Schistosoma mansoni jumonji/arid domain-containing protein 0.0267 0.1 0.1
Echinococcus granulosus chromobox protein 1 0.0221 0.0811 0.0811
Echinococcus multilocularis cpg binding protein 0.0065 0.0167 0.0167
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0039 0.0062 0.0086
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0158 0.0552 0.0552
Echinococcus multilocularis jumonji domain containing protein 0.0167 0.0587 0.0587
Schistosoma mansoni hypothetical protein 0.0033 0.0037 0.0037
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0128 0.0128
Schistosoma mansoni phosphatidylserine receptor 0.007 0.0188 0.0188
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0415 0.1608 0.6924
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0036 0.005 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.005 0.0002
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0037 0.0037
Schistosoma mansoni cpg binding protein 0.0065 0.0167 0.0167
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0071 0.0195 0.0195
Mycobacterium ulcerans aldehyde dehydrogenase 0.0187 0.0671 0.2761
Trichomonas vaginalis chromobox protein, putative 0.0134 0.045 0.0814
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.01 0.01
Mycobacterium tuberculosis Carboxylesterase LipT 0.0415 0.1608 0.6924
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.015 0.0516 0.0516
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0175 0.062 0.062
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1195 0.4812 1
Loa Loa (eye worm) carboxylesterase 0.2458 1 1
Onchocerca volvulus 0.0415 0.1608 0.3216
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0195 0.0183
Echinococcus granulosus acetylcholinesterase 0.2458 1 1
Schistosoma mansoni hypothetical protein 0.012 0.0394 0.0394
Brugia malayi jmjC domain containing protein 0.007 0.0188 0.0176
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0036 0.0049 0.0049
Echinococcus granulosus fetal alzheimer antigen falz 0.0028 0.0015 0.0015
Loa Loa (eye worm) hypothetical protein 0.007 0.0188 0.0188
Schistosoma mansoni chromobox protein 0.0221 0.0811 0.0811
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0415 0.1608 0.1608
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.005 0.0002
Trichomonas vaginalis conserved hypothetical protein 0.0124 0.0411 0.0735
Echinococcus multilocularis chromobox protein 2 0.0036 0.005 0.005
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0121 0.1159
Onchocerca volvulus 0.0415 0.1608 0.3216
Echinococcus multilocularis lamin dm0 0.0027 0.0012 0.0012
Echinococcus granulosus BC026374 protein S09 family 0.0415 0.1608 0.1608
Loa Loa (eye worm) CHromoDomain protein family member 0.0042 0.0073 0.0072
Giardia lamblia Fructose-bisphosphate aldolase 0.1195 0.4812 1
Brugia malayi PHD-finger family protein 0.012 0.0394 0.0382
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0042 0.0073 0.0073
Echinococcus granulosus peregrin 0.0126 0.042 0.042
Loa Loa (eye worm) helicase 0.0036 0.005 0.005
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0049 0.0049
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0024 0.0000050689 0.0000050689
Leishmania major phospholipase A1, putative 0.0402 0.1551 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0121 0.2071
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Echinococcus multilocularis phd:f box containing protein 0.007 0.0188 0.0188
Echinococcus multilocularis neuroligin 0.0415 0.1608 0.1608
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1195 0.4812 0.9672
Schistosoma mansoni hypothetical protein 0.0071 0.0195 0.0195
Loa Loa (eye worm) heterochromatin protein 1 0.0221 0.0811 0.0811
Onchocerca volvulus 0.0059 0.0145 0.0267
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0049 0.0049
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.005 0.0002
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0075 0.0211 0.0211
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.005 0.0002
Loa Loa (eye worm) hypothetical protein 0.0076 0.0214 0.0214
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0584 0.23 1
Trichomonas vaginalis hypothetical protein 0.0036 0.005 0.0002
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.005 0.0105 0.0114
Toxoplasma gondii PHD-finger domain-containing protein 0.012 0.0394 0.5543
Loa Loa (eye worm) hypothetical protein 0.0048 0.0097 0.0097
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.01 0.0103
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0042 0.0073 0.0073
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0037 0.0037
Onchocerca volvulus Alhambra homolog 0.012 0.0394 0.0769
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.005 0.0105 0.0114
Trichomonas vaginalis chromobox protein, putative 0.0036 0.005 0.0002
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0415 0.1608 0.6924
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.012 0.0394 0.0394
Brugia malayi Calcitonin receptor-like protein seb-1 0.0105 0.0331 0.0319
Echinococcus granulosus histone acetyltransferase KAT2B 0.0151 0.0524 0.0524
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0037 0.0037
Loa Loa (eye worm) carboxylesterase 0.0415 0.1608 0.1608
Brugia malayi Bromodomain containing protein 0.0126 0.042 0.0408
Brugia malayi M-phase phosphoprotein, mpp8 0.0036 0.005 0.0038
Echinococcus multilocularis chromobox protein 1 0.0221 0.0811 0.0811
Trypanosoma cruzi phospholipase A1, putative 0.0402 0.1551 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.0195 0.0195
Leishmania major hypothetical protein, conserved 0.0054 0.0121 0.0479
Echinococcus multilocularis BC026374 protein (S09 family) 0.0415 0.1608 0.1608
Plasmodium vivax SET domain protein, putative 0.0157 0.0545 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.0121 0.0121
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0037 0.0037
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Loa Loa (eye worm) hypothetical protein 0.0237 0.0874 0.0874
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0509 0.1994 0.1994
Echinococcus granulosus lysine specific demethylase 6a 0.007 0.0188 0.0188
Echinococcus multilocularis jumonji domain containing 1A 0.007 0.0188 0.0188
Echinococcus multilocularis carboxylesterase 5A 0.2458 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0146 0.0146
Loa Loa (eye worm) jmjC domain-containing protein 0.0267 0.1 0.1
Echinococcus multilocularis GPCR, family 2 0.0033 0.0037 0.0037
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0036 0.005 0.0038
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.005 0.0105 0.0114
Loa Loa (eye worm) platelet-activating factor acetylhydrolase 0.0402 0.1551 0.1551
Mycobacterium tuberculosis Possible penicillin-binding protein 0.023 0.0847 0.3545
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.01 0.0103
Schistosoma mansoni hypothetical protein 0.0033 0.0037 0.0037
Onchocerca volvulus 0.0415 0.1608 0.3216
Brugia malayi hypothetical protein 0.0415 0.1608 0.1597
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.005 0.0105 0.0114
Schistosoma mansoni chromobox protein 0.0036 0.005 0.005
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.005 0.0002
Echinococcus multilocularis lamin 0.0027 0.0012 0.0012
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0175 0.062 0.062
Echinococcus granulosus dnaJ subfamily B 0.0843 0.3365 0.3365
Brugia malayi CHD4 protein 0.0042 0.0073 0.006
Plasmodium vivax heterochromatin protein 1, putative 0.0036 0.005 0.0018
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0415 0.1608 0.3165
Schistosoma mansoni gliotactin 0.0415 0.1608 0.1608
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0188 0.0188
Trichomonas vaginalis chromobox protein, putative 0.0036 0.005 0.0002
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.005 0.0105 0.0114
Loa Loa (eye worm) hypothetical protein 0.0036 0.0049 0.0049
Mycobacterium ulcerans aldehyde dehydrogenase 0.0187 0.0671 0.2761
Brugia malayi Carboxylesterase family protein 0.0415 0.1608 0.1597
Brugia malayi jmjC domain containing protein 0.007 0.0188 0.0176
Brugia malayi Associated with TFs and helicases family protein 0.0036 0.005 0.0038
Echinococcus granulosus PHD finger protein rhinoceros 0.012 0.0394 0.0394
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0043 0.008 0.0062
Treponema pallidum fructose-bisphosphate aldolase 0.1195 0.4812 0.5
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0036 0.005 0.0002
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0415 0.1608 0.1608
Echinococcus multilocularis zinc finger protein 0.0028 0.0017 0.0017
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.007 0.0188 0.0188
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0289 0.0289
Loa Loa (eye worm) hypothetical protein 0.0415 0.1608 0.1608
Loa Loa (eye worm) acetylcholinesterase 1 0.2458 1 1
Onchocerca volvulus 0.0402 0.1551 0.3102
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0036 0.005 0.0014
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0121 0.0479
Echinococcus granulosus intermediate filament protein 0.0027 0.0012 0.0012
Brugia malayi chromobox protein homolog 3 0.0124 0.0411 0.04
Brugia malayi beta-lactamase family protein 0.0036 0.0049 0.0037
Toxoplasma gondii histone lysine demethylase JMJD6a 0.007 0.0188 0.2236
Trichomonas vaginalis spcc417.12 protein, putative 0.0415 0.1608 0.3165
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0134 0.045 0.0883
Toxoplasma gondii PHD-finger domain-containing protein 0.012 0.0394 0.5543
Loa Loa (eye worm) hypothetical protein 0.0041 0.0071 0.0071
Brugia malayi Bromodomain containing protein 0.0045 0.0086 0.0074
Schistosoma mansoni acetylcholinesterase 0.0415 0.1608 0.1608
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1195 0.4812 0.9672
Echinococcus multilocularis acetylcholinesterase 0.2458 1 1
Schistosoma mansoni zinc finger protein 0.0028 0.0017 0.0017
Echinococcus granulosus lamin dm0 0.0027 0.0012 0.0012
Giardia lamblia PHD finger protein 15 0.012 0.0394 0.0675
Brugia malayi jmjC domain containing protein 0.007 0.0188 0.0176
Brugia malayi jmjC domain containing protein 0.0267 0.1 0.0989
Brugia malayi SET domain containing protein 0.0043 0.0079 0.0067
Trichomonas vaginalis chromobox protein, putative 0.0134 0.045 0.0814
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0037 0.0037
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0037 0.0025
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0128 0.0128
Echinococcus granulosus chromobox protein 1 0.0221 0.0811 0.0811
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0094 0.0289 0.0289
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.1195 0.4812 1
Loa Loa (eye worm) acetyltransferase 0.0158 0.0552 0.0552
Schistosoma mansoni cpg binding protein 0.0059 0.0145 0.0145
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.007 0.0188 0.2236
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0042 0.0073 0.0073
Brugia malayi hypothetical protein 0.0036 0.005 0.0038
Trypanosoma cruzi phospholipase A2-like protein, putative 0.0184 0.0658 0.4052
Onchocerca volvulus 0.0193 0.0694 0.1374
Schistosoma mansoni hypothetical protein 0.0843 0.3365 0.3365
Schistosoma mansoni hypothetical protein 0.017 0.0598 0.0598
Echinococcus granulosus lamin 0.0027 0.0012 0.0012
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Schistosoma mansoni bromodomain containing protein 0.0075 0.0211 0.0211
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1195 0.4812 0.9672
Brugia malayi beta-lactamase 0.0036 0.0049 0.0037
Schistosoma mansoni lipoxygenase 0.0055 0.0128 0.0128
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0121 0.0479
Schistosoma mansoni aldehyde dehydrogenase 0.0187 0.0671 0.0671
Echinococcus granulosus acetylcholinesterase 0.2458 1 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.007 0.0188 0.0925
Echinococcus granulosus GPCR family 2 0.0033 0.0037 0.0037
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0024 0.0000050689 0.0000050689
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1195 0.4812 0.9672
Brugia malayi hypothetical protein 0.0054 0.0121 0.0109
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0036 0.005 0.005
Schistosoma mansoni chromobox protein 0.0036 0.005 0.005
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0193 0.0694 0.0694
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0094 0.0289 0.0289
Schistosoma mansoni hypothetical protein 0.0039 0.0062 0.0062
Echinococcus multilocularis geminin 0.017 0.0598 0.0598
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0157 0.0545 0.7979
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0039 0.0062 0.0208
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0121 0.2071
Toxoplasma gondii aldehyde dehydrogenase 0.0187 0.0671 1
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0584 0.23 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0105 0.0331 0.0319
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0036 0.005 0.005
Schistosoma mansoni phd/f-box containing protein 0.007 0.0188 0.0188
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.01 0.0817
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0094 0.0289 0.0289
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.005 0.0105 0.0114
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0094 0.0289 0.0277
Brugia malayi Pre-SET motif family protein 0.1085 0.4358 0.4351
Echinococcus granulosus zinc finger protein 0.0028 0.0017 0.0017
Echinococcus granulosus jumonji domain containing protein 0.0167 0.0587 0.0587
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.006 0.006
Loa Loa (eye worm) hypothetical protein 0.0033 0.0037 0.0037
Brugia malayi Carboxylesterase family protein 0.0415 0.1608 0.1597
Schistosoma mansoni lamin 0.0027 0.0012 0.0012
Onchocerca volvulus 0.0415 0.1608 0.3216
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0187 0.0671 0.2761
Loa Loa (eye worm) hypothetical protein 0.0053 0.0119 0.0119
Loa Loa (eye worm) PHD-finger family protein 0.012 0.0394 0.0394
Onchocerca volvulus 0.0036 0.0049 0.0075
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0043 0.0077 0.0782
Loa Loa (eye worm) hypothetical protein 0.0175 0.062 0.062
Brugia malayi Platelet-activating factor acetylhydrolase, plasma/intracellular isoform II family protein 0.0402 0.1551 0.1541
Brugia malayi PHD-finger family protein 0.0045 0.0085 0.0072
Brugia malayi Carboxylesterase family protein 0.0415 0.1608 0.1597
Trypanosoma cruzi phospholipase A1, putative 0.0402 0.1551 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0036 0.005 0.0002
Echinococcus multilocularis Chromobox protein 3 0.0036 0.005 0.005
Echinococcus multilocularis dnaJ subfamily B 0.0843 0.3365 0.3365
Schistosoma mansoni hypothetical protein 0.017 0.0598 0.0598
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0181 0.0647 0.1279
Brugia malayi jmjC domain containing protein 0.0509 0.1994 0.1984
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0175 0.062 0.062
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0584 0.23 1
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0188 0.0188
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0187 0.0671 0.0671
Brugia malayi CXXC zinc finger family protein 0.0059 0.0145 0.0133
Onchocerca volvulus 0.0402 0.1551 0.3102
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0036 0.005 0.0014
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0077 0.056
Loa Loa (eye worm) hypothetical protein 0.0036 0.005 0.005
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0012 0.0012
Loa Loa (eye worm) jmjC domain-containing protein 0.0247 0.0918 0.0918
Loa Loa (eye worm) hypothetical protein 0.0097 0.0301 0.0301
Loa Loa (eye worm) carboxylesterase 0.0415 0.1608 0.1608
Brugia malayi PHD-finger family protein 0.0034 0.0041 0.0029
Echinococcus multilocularis PHD finger protein rhinoceros 0.012 0.0394 0.0394
Brugia malayi beta-lactamase family protein 0.0036 0.0049 0.0037
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.2458 1 1
Echinococcus granulosus geminin 0.017 0.0598 0.0598
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0105 0.0331 0.0331
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.0262 0.0433
Loa Loa (eye worm) hypothetical protein 0.012 0.0394 0.0394
Toxoplasma gondii PHD-finger domain-containing protein 0.0039 0.0062 0.0208
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0094 0.0289 0.0289
Onchocerca volvulus 0.0097 0.0301 0.0582
Echinococcus multilocularis musashi 0.0027 0.0012 0.0012
Echinococcus granulosus chromobox protein 2 0.0036 0.005 0.005
Onchocerca volvulus 0.1234 0.4973 1
Trichomonas vaginalis conserved hypothetical protein 0.0088 0.0262 0.0433
Loa Loa (eye worm) hypothetical protein 0.0027 0.0012 0.0012
Echinococcus granulosus Chromo domain 0.0036 0.005 0.005
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.007 0.0188 0.0925
Onchocerca volvulus 0.0415 0.1608 0.3216
Loa Loa (eye worm) hypothetical protein 0.2458 1 1
Brugia malayi Pre-SET motif family protein 0.0157 0.0545 0.0534
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0075 0.0211 0.0211
Schistosoma mansoni BC026374 protein (S09 family) 0.0415 0.1608 0.1608
Leishmania major hypothetical protein, conserved 0.007 0.0188 0.0925
Schistosoma mansoni jumonji domain containing protein 0.007 0.0188 0.0188
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.1195 0.4812 0.9672
Toxoplasma gondii histone lysine methyltransferase SET1 0.0124 0.0412 0.5833
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0012 0.0012
Plasmodium falciparum phd finger protein, putative 0.012 0.0394 1
Loa Loa (eye worm) hypothetical protein 0.0415 0.1608 0.1608
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0071 0.0195 0.0195
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.1085 0.4358 0.4358
Echinococcus granulosus carboxylesterase 5A 0.2458 1 1
Plasmodium vivax hypothetical protein, conserved 0.012 0.0394 0.6947
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0131 0.0441 0.0441
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.005 0.0105 0.0114
Brugia malayi Heterochromatin protein 1 0.0221 0.0811 0.08
Echinococcus granulosus lysine specific demethylase 5A 0.0267 0.1 0.1
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0187 0.0671 0.4137
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0036 0.005 0.0002
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0042 0.0076 0.0054

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 4.4 uM Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2) ChEMBL. 10714508
IC50 (binding) = 4.4 uM Inhibition of lipoprotein-associated phospholipase A2 (Lp-PLA2) ChEMBL. 10714508

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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