Detailed information for compound 223479

Basic information

Technical information
  • TDR Targets ID: 223479
  • Name: 8-(3,4,5-triphenylpyrazol-1-yl)octanoic acid
  • MW: 438.561 | Formula: C29H30N2O2
  • H donors: 1 H acceptors: 3 LogP: 6.77 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCCCCCn1nc(c(c1c1ccccc1)c1ccccc1)c1ccccc1
  • InChi: 1S/C29H30N2O2/c32-26(33)21-13-2-1-3-14-22-31-29(25-19-11-6-12-20-25)27(23-15-7-4-8-16-23)28(30-31)24-17-9-5-10-18-24/h4-12,15-20H,1-3,13-14,21-22H2,(H,32,33)
  • InChiKey: WBEPVRZMZNPHOH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 8-(3,4,5-triphenyl-1-pyrazolyl)octanoic acid
  • 8-(3,4,5-triphenylpyrazol-1-yl)caprylic acid
  • 8-[3,4,5-tri(phenyl)pyrazol-1-yl]octanoic acid
  • 8-[3,4,5-tri(phenyl)-1-pyrazolyl]octanoic acid
  • 8-[3,4,5-tri(phenyl)pyrazol-1-yl]caprylic acid

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0061 0.0733 0.0791
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0141 0.1954 0.2946
Echinococcus granulosus chromobox protein 1 0.0053 0.0612 0.0612
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0443 0.6535 0.6535
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0443 0.6535 0.7425
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0443 0.6535 1
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0046 0.051 0.051
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-33 0.0061 0.0733 0.1065
Plasmodium vivax 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0046 0.051 0.0722
Echinococcus multilocularis L aminoadipate semialdehyde 0.0141 0.1954 0.1954
Giardia lamblia DNA repair protein RAD52 0.0591 0.8787 1
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type (slyD) 0.0061 0.0733 0.1086
Echinococcus granulosus chromobox protein 1 0.0053 0.0612 0.0612
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Echinococcus multilocularis chromobox protein 1 0.0053 0.0612 0.0612
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0443 0.6535 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0016 0.0044 0.0044
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0701 0.0701
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0101 0.0133
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0027 0.0215 0.0215
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0127 0.174 0.174
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0101 0.134 0.134
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0127 0.174 0.5255
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0015 0.0041 0.0091
Chlamydia trachomatis peptidyl-prolyl cis-trans isomerase 0.0061 0.0733 1
Leishmania major peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.004 0.0411 0.2246
Plasmodium falciparum eukaryotic initiation factor 4A 0.0127 0.174 0.2615
Schistosoma mansoni ferritin light chain 0.0014 0.0026 0.0026
Brugia malayi Pre-SET motif family protein 0.0029 0.0244 0.0312
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0443 0.6535 0.7425
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0068 0.0838 0.1227
Echinococcus multilocularis fk506 binding protein 0.0443 0.6535 0.6535
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0046 0.051 0.309
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0109 0.1457 1
Echinococcus granulosus Msx-like 0.0044 0.0481 0.0481
Echinococcus multilocularis expressed protein 0.0014 0.0026 0.0026
Mycobacterium ulcerans FK-506 binding protein, peptidyl-prolyl cis-trans isomerase 0.0443 0.6535 1
Brugia malayi Isocitrate dehydrogenase 0.0027 0.0215 0.0268
Echinococcus granulosus FK506 binding protein 2 0.0061 0.0733 0.0733
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.0838 0.0838
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Loa Loa (eye worm) hypothetical protein 0.0029 0.0244 0.0312
Brugia malayi Calcitonin receptor-like protein seb-1 0.0214 0.3065 0.4657
Plasmodium vivax RNA helicase-1, putative 0.0127 0.174 0.2615
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0258 0.0375
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0127 0.174 0.2615
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0027 0.0213 0.0213
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0061 0.0733 0.4938
Loa Loa (eye worm) RNA binding protein 0.0059 0.0701 0.1016
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0733 0.1102
Loa Loa (eye worm) TAR-binding protein 0.0059 0.0701 0.1016
Entamoeba histolytica hypothetical protein 0.0168 0.2362 0.2653
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0061 0.0733 0.0791
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0061 0.0733 0.1065
Schistosoma mansoni ap endonuclease 0.0015 0.0041 0.0041
Onchocerca volvulus 0.0061 0.0733 0.1904
Echinococcus granulosus microtubule associated protein 2 0.0641 0.9546 0.9546
Schistosoma mansoni fk506 binding protein 0.0061 0.0733 0.0733
Brugia malayi eukaryotic initiation factor 4A 0.0127 0.174 0.2616
Echinococcus multilocularis tar DNA binding protein 0.0059 0.0701 0.0701
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0443 0.6535 0.7425
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0701 0.0701
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0411 0.0569
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0101 0.0133
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0046 0.051 0.0744
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0032 0.0292 0.0439
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0443 0.6535 1
Mycobacterium ulcerans hypothetical protein 0.0061 0.0733 0.1086
Schistosoma mansoni hypothetical protein 0.0068 0.0838 0.0838
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0061 0.0733 0.1065
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0027 0.0215 0.0215
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0109 0.1457 0.2199
Mycobacterium leprae conserved hypothetical protein 0.004 0.0411 0.269
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0027 0.0215 0.0267
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0214 0.3065 0.4657
Echinococcus granulosus L aminoadipate semialdehyde 0.0141 0.1954 0.1954
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.0791
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0027 0.0215 0.0267
Schistosoma mansoni immunophilin 0.0443 0.6535 0.6535
Schistosoma mansoni chromobox protein 0.0053 0.0612 0.0612
Echinococcus multilocularis GPCR, family 2 0.0068 0.0838 0.0838
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0109 0.1457 0.8352
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Leishmania major peptidylprolyl isomerase-like protein 0.0443 0.6535 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0027 0.0215 0.0215
Trichomonas vaginalis ferritin, putative 0.0014 0.0026 0.0018
Schistosoma mansoni transcription factor 0.0044 0.0481 0.0481
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0046 0.051 0.051
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0061 0.0733 0.0733
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0027 0.0215 0.0267
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0042 0.044 0.0615
Loa Loa (eye worm) hypothetical protein 0.0114 0.1534 0.2298
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0101 0.0133
Echinococcus granulosus tar DNA binding protein 0.0059 0.0701 0.0701
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Brugia malayi isocitrate dehydrogenase 0.0027 0.0215 0.0268
Trichomonas vaginalis immunophilin, putative 0.0443 0.6535 1
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0015 0.0041 0.0041
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.044 0.044
Brugia malayi exodeoxyribonuclease III family protein 0.0015 0.0041 0.0001
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0042 0.044 0.0615
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.004 0.0411 0.2175
Echinococcus granulosus cpg binding protein 0.005 0.0563 0.0563
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.0838 0.0838
Schistosoma mansoni hypothetical protein 0.0671 1 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0443 0.6535 1
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0591 0.8787 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0258 0.0375
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0222 0.3186 0.3595
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0061 0.0733 0.1065
Trichomonas vaginalis fk506-binding protein, putative 0.0061 0.0733 0.1102
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0027 0.0215 0.0267
Schistosoma mansoni apoferritin-2 0.0014 0.0026 0.0026
Schistosoma mansoni cpg binding protein 0.0047 0.0522 0.0522
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0443 0.6535 1
Brugia malayi RNA binding protein 0.0059 0.0701 0.1016
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0127 0.174 0.2647
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0061 0.0733 0.1065
Trypanosoma brucei macrophage infectivity potentiator, precursor, putative 0.0061 0.0733 0.1065
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.044 0.044
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0127 0.174 0.2647
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0244 0.0244
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0046 0.051 0.0722
Loa Loa (eye worm) hypothetical protein 0.0061 0.0733 0.1065
Trichomonas vaginalis fk506-binding protein, putative 0.0443 0.6535 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0244 0.0244
Schistosoma mansoni ferritin 0.0014 0.0026 0.0026
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-13 0.0061 0.0733 0.1065
Echinococcus multilocularis ferritin 0.0014 0.0026 0.0026
Treponema pallidum 4'-phosphopantetheinyl transferase 0.004 0.0411 0.0591
Schistosoma mansoni hypothetical protein 0.0288 0.4184 0.4184
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.0838 0.1226
Brugia malayi CXXC zinc finger family protein 0.0047 0.0522 0.0742
Loa Loa (eye worm) hypothetical protein 0.0046 0.051 0.0722
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Schistosoma mansoni hypothetical protein 0.0061 0.0733 0.0733
Echinococcus granulosus eukaryotic initiation factor 4A 0.0127 0.174 0.174
Schistosoma mansoni ferritin 0.0014 0.0026 0.0026
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.044 0.044
Brugia malayi RNA recognition motif domain containing protein 0.0059 0.0701 0.1016
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0141 0.1954 0.1954
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0443 0.6535 0.6535
Onchocerca volvulus 0.0221 0.3166 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0046 0.051 0.2761
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0127 0.174 1
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0375 0.0375
Schistosoma mansoni hypothetical protein 0.0288 0.4184 0.4184
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0194 0.276 0.4186
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.004 0.0411 0.0569
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0127 0.174 0.174
Toxoplasma gondii acyltransferase domain-containing protein 0.0046 0.051 0.2761
Echinococcus multilocularis microtubule associated protein 2 0.0641 0.9546 0.9546
Echinococcus multilocularis homeobox 0.0044 0.0481 0.0481
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0101 0.0133
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0127 0.174 0.174
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0027 0.0215 0.0215
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0015 0.0041 0.0041
Schistosoma mansoni ap endonuclease 0.0015 0.0041 0.0041
Schistosoma mansoni hypothetical protein 0.0068 0.0838 0.0838
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0443 0.6535 1
Entamoeba histolytica hypothetical protein 0.004 0.0411 0.0422
Trypanosoma brucei hypothetical protein, conserved 0.0061 0.0733 0.1065
Onchocerca volvulus 0.0141 0.1954 0.5969
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0061 0.0733 0.1065
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0015 0.0041 0.022
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0214 0.3065 0.4656
Giardia lamblia Hypothetical protein 0.0061 0.0733 0.0791
Plasmodium vivax SET domain protein, putative 0.0029 0.0244 0.0312
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0733 0.1102
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.004 0.0411 0.0569
Treponema pallidum ATP-dependent RNA helicase 0.0127 0.174 0.2633
Toxoplasma gondii isocitrate dehydrogenase 0.0027 0.0215 0.1022
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0443 0.6535 1
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0046 0.051 0.0744
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0382 0.5609 0.5609
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.044 0.044
Onchocerca volvulus 0.0061 0.0733 0.1904
Brugia malayi Heterochromatin protein 1 0.0053 0.0612 0.088
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.004 0.0411 0.2175
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0061 0.0733 1
Echinococcus granulosus expressed protein 0.0014 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0114 0.1534 0.2298
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0127 0.174 0.2647
Echinococcus multilocularis muscleblind protein 0.0114 0.1534 0.1534
Loa Loa (eye worm) hypothetical protein 0.0044 0.0481 0.0678
Trichomonas vaginalis ap endonuclease, putative 0.0015 0.0041 0.0042
Trichomonas vaginalis chromobox protein, putative 0.0053 0.0612 0.0918
Schistosoma mansoni immunophilin 0.0443 0.6535 0.6535
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0127 0.174 0.174
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.004 0.0411 0.0591
Loa Loa (eye worm) hypothetical protein 0.0046 0.051 0.0722
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Leishmania major FKBP-type peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0126 0.0173
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0061 0.0733 0.4071
Onchocerca volvulus 0.0037 0.0375 0.0715
Trichomonas vaginalis chromobox protein, putative 0.0032 0.0292 0.0428
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.004 0.0411 0.0591
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0026 0.0018
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0443 0.6535 1
Echinococcus multilocularis chromobox protein 1 0.0053 0.0612 0.0612
Brugia malayi TAR-binding protein 0.0059 0.0701 0.1016
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0027 0.0215 0.0267
Trypanosoma brucei 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0046 0.051 0.0722
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59 0.0443 0.6535 1
Schistosoma mansoni microtubule-associated protein tau 0.0641 0.9546 0.9546
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0443 0.6535 1
Loa Loa (eye worm) hypothetical protein 0.0382 0.5609 0.8574
Trichomonas vaginalis fk506-binding protein, putative 0.0061 0.0733 0.1102
Loa Loa (eye worm) heterochromatin protein 1 0.0053 0.0612 0.0879
Echinococcus multilocularis cpg binding protein 0.005 0.0563 0.0563
Trypanosoma cruzi FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Trypanosoma brucei FKBP-type peptidylprolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Trichomonas vaginalis chromobox protein, putative 0.0032 0.0292 0.0428
Trichomonas vaginalis set domain proteins, putative 0.0221 0.3166 0.4833
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0244 0.1192
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0443 0.6535 1
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0244 0.0244
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0382 0.5609 0.5609
Trichomonas vaginalis fk506 binding protein, putative 0.0061 0.0733 0.1102
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.044 0.044
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0027 0.0215 0.0267
Schistosoma mansoni hypothetical protein 0.0147 0.2034 0.2034
Brugia malayi Muscleblind-like protein 0.0114 0.1534 0.2299
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0222 0.3186 0.3595
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0127 0.174 0.2615
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0046 0.051 0.2827
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0027 0.0215 0.1103
Schistosoma mansoni apoferritin-2 0.0014 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0147 0.2034 0.3069
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0101 0.0133
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0127 0.174 1
Loa Loa (eye worm) isocitrate dehydrogenase 0.0027 0.0215 0.0267
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0014 0.0026 0.0018
Trichomonas vaginalis chromobox protein, putative 0.0053 0.0612 0.0918
Echinococcus granulosus GPCR family 2 0.0068 0.0838 0.0838
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Loa Loa (eye worm) histone methyltransferase 0.0016 0.0044 0.0004
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0046 0.051 0.051
Onchocerca volvulus 0.0047 0.0522 0.1204
Loa Loa (eye worm) hypothetical protein 0.0214 0.3065 0.4656
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0061 0.0733 0.0733
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.044 0.044
Treponema pallidum lysophosphatidic acid acyltransferase 0.0046 0.051 0.0744
Trichomonas vaginalis ap endonuclease, putative 0.0015 0.0041 0.0042
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0061 0.0733 0.4071
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0059 0.0701 0.1016
Schistosoma mansoni immunophilin 0.0382 0.5609 0.5609
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0044 0.0044
Onchocerca volvulus Heterochromatin protein 1 homolog 0.003 0.0258 0.0325
Schistosoma mansoni ferritin light chain 0.0014 0.0026 0.0026
Toxoplasma gondii histone lysine methyltransferase SET1 0.009 0.1178 0.6694
Giardia lamblia Fructose-bisphosphate aldolase 0.0222 0.3186 0.3595
Brugia malayi Acyltransferase family protein 0.0046 0.051 0.0723
Brugia malayi Latrophilin receptor protein 2 0.0068 0.0838 0.1227
Echinococcus granulosus 1 acyl sn glycerol 3 phosphate acyltransferase 0.0046 0.051 0.051
Leishmania major fk506-binding protein 1-like protein 0.0443 0.6535 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.0838 0.1226
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0101 0.0133
Loa Loa (eye worm) CXXC zinc finger family protein 0.0047 0.0522 0.0741
Leishmania major eukaryotic initiation factor 4a, putative 0.0127 0.174 0.2615
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Loa Loa (eye worm) acyltransferase 0.0046 0.051 0.0722
Echinococcus multilocularis dnaJ subfamily B 0.0671 1 1
Treponema pallidum fructose-bisphosphate aldolase 0.0222 0.3186 0.4854
Brugia malayi Pre-SET motif family protein 0.0194 0.276 0.4187
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0701 0.0701
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0061 0.0733 0.4125
Schistosoma mansoni cpg binding protein 0.005 0.0563 0.0563
Loa Loa (eye worm) hypothetical protein 0.0023 0.0161 0.0184
Loa Loa (eye worm) hypothetical protein 0.0127 0.174 0.2615
Mycobacterium tuberculosis Possible transmembrane phospholipid biosynthesis bifunctional enzyme PlsC: putative L-3-phosphoserine phosphatase (O-phosphoseri 0.0044 0.0481 0.2658
Giardia lamblia 70 kDa peptidylprolyl isomerase, putative 0.0443 0.6535 0.7425
Echinococcus multilocularis Phospholipid glycerol acyltransferase 0.0046 0.051 0.051
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-12 0.0443 0.6535 1
Schistosoma mansoni ferritin 0.0014 0.0026 0.0026
Schistosoma mansoni 1-acyl-sn-glycerol-3-phosphate o-acyltransferase 0.0046 0.051 0.051
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0126 0.0173
Loa Loa (eye worm) hypothetical protein 0.003 0.0258 0.0334
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0061 0.0733 0.4071
Leishmania major phosphopantetheinyl transferase-like protein 0.004 0.0411 0.0569
Schistosoma mansoni ferritin 0.0014 0.0026 0.0026
Wolbachia endosymbiont of Brugia malayi 1-acyl-sn-glycerol-3-phosphate acyltransferase 0.0046 0.051 0.6853
Schistosoma mansoni chromobox protein 0.0053 0.0612 0.0612
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0443 0.6535 0.6535
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0061 0.0733 1
Loa Loa (eye worm) FKBP5 protein 0.0443 0.6535 1
Toxoplasma gondii isocitrate dehydrogenase 0.0027 0.0215 0.1022
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.0838 0.0838
Echinococcus multilocularis muscleblind protein 1 0.0114 0.1534 0.1534
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0027 0.0215 0.0215
Echinococcus multilocularis isocitrate dehydrogenase 0.0027 0.0215 0.0215
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0443 0.6535 1
Brugia malayi latrophilin 2 splice variant baaae 0.0147 0.2034 0.3069
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0015 0.0041 0.0024
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.044 0.044
Echinococcus granulosus Phospholipid glycerol acyltransferase 0.0046 0.051 0.051
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0127 0.174 0.1942
Loa Loa (eye worm) hypothetical protein 0.0141 0.1954 0.2946
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0046 0.051 0.0722
Echinococcus multilocularis geminin 0.0288 0.4184 0.4184
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0168 0.2362 0.2653
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0443 0.6535 0.6535
Echinococcus granulosus geminin 0.0288 0.4184 0.4184
Brugia malayi chromobox protein homolog 3 0.003 0.0258 0.0335
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0244 0.0244
Schistosoma mansoni cpg binding protein 0.005 0.0563 0.0563
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0101 0.0133
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0127 0.174 0.174
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0443 0.6535 1
Toxoplasma gondii peptidyl-prolyl isomerase FKBP12, putative 0.0061 0.0733 0.4071
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0061 0.0733 0.0791
Echinococcus granulosus ferritin 0.0014 0.0026 0.0026
Echinococcus multilocularis 0.0061 0.0733 0.0733
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0029 0.0244 0.0244
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0701 0.0701
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0701 0.0701
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0101 0.0133
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0027 0.0215 0.0267
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0061 0.0733 0.0791
Treponema pallidum exodeoxyribonuclease (exoA) 0.0015 0.0041 0.0024
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0127 0.174 0.1942
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0046 0.051 0.3384
Schistosoma mansoni hypothetical protein 0.0068 0.0838 0.0838
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0046 0.051 0.0722
Echinococcus granulosus muscleblind protein 0.0114 0.1534 0.1534
Echinococcus granulosus histone lysine methyltransferase setb 0.0029 0.0244 0.0244
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0127 0.174 0.2615
Schistosoma mansoni hypothetical protein 0.0068 0.0838 0.0838
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.004 0.0411 0.5446
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0068 0.0838 0.0838
Leishmania major eukaryotic initiation factor 4a, putative 0.0127 0.174 0.2615
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0027 0.0215 0.0215
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30 0.0061 0.0733 0.1065

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 3.4 uM Inhibition of ADP-induced human platelet aggregation ChEMBL. 1370696
IC50 (functional) = 3.4 uM Inhibition of ADP-induced human platelet aggregation ChEMBL. 1370696

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 1370696

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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