Detailed information for compound 223478

Basic information

Technical information
  • TDR Targets ID: 223478
  • Name: 11-(3,4,5-triphenylpyrazol-1-yl)undecanoic ac id
  • MW: 480.64 | Formula: C32H36N2O2
  • H donors: 1 H acceptors: 3 LogP: 8.39 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)CCCCCCCCCCn1nc(c(c1c1ccccc1)c1ccccc1)c1ccccc1
  • InChi: 1S/C32H36N2O2/c35-29(36)24-16-5-3-1-2-4-6-17-25-34-32(28-22-14-9-15-23-28)30(26-18-10-7-11-19-26)31(33-34)27-20-12-8-13-21-27/h7-15,18-23H,1-6,16-17,24-25H2,(H,35,36)
  • InChiKey: LSGPJFPPZFTYHC-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 11-(3,4,5-triphenyl-1-pyrazolyl)undecanoic acid
  • 11-[3,4,5-tri(phenyl)pyrazol-1-yl]undecanoic acid
  • 11-[3,4,5-tri(phenyl)-1-pyrazolyl]undecanoic 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
Echinococcus multilocularis chromobox protein 1 0.0053 0.0612 0.0612
Brugia malayi TAR-binding protein 0.0059 0.0701 0.1016
Trypanosoma brucei FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0443 0.6535 1
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0026 0.0018
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.004 0.0411 0.0591
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0061 0.0733 0.4071
Trichomonas vaginalis chromobox protein, putative 0.0032 0.0292 0.0428
Onchocerca volvulus 0.0037 0.0375 0.0715
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
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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Loa Loa (eye worm) hypothetical protein 0.0046 0.051 0.0722
Trichomonas vaginalis chromobox protein, putative 0.0053 0.0612 0.0918
Schistosoma mansoni immunophilin 0.0443 0.6535 0.6535
Trichomonas vaginalis ap endonuclease, putative 0.0015 0.0041 0.0042
Echinococcus multilocularis muscleblind protein 0.0114 0.1534 0.1534
Loa Loa (eye worm) hypothetical protein 0.0044 0.0481 0.0678
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0222 0.3186 0.3595
Brugia malayi Muscleblind-like protein 0.0114 0.1534 0.2299
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
Trichomonas vaginalis fk506 binding protein, putative 0.0061 0.0733 0.1102
Schistosoma mansoni hypothetical protein 0.0147 0.2034 0.2034
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0382 0.5609 0.5609
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0029 0.0244 0.1192
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0244 0.0244
Plasmodium vivax peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0443 0.6535 1
Trichomonas vaginalis chromobox protein, putative 0.0032 0.0292 0.0428
Trichomonas vaginalis set domain proteins, putative 0.0221 0.3166 0.4833
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
Loa Loa (eye worm) heterochromatin protein 1 0.0053 0.0612 0.0879
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
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
Echinococcus multilocularis cpg binding protein 0.005 0.0563 0.0563
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0042 0.044 0.044
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Echinococcus multilocularis FK506 binding protein 8, 38 kDa 0.0061 0.0733 0.0733
Onchocerca volvulus 0.0047 0.0522 0.1204
Loa Loa (eye worm) hypothetical protein 0.0214 0.3065 0.4656
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
Trichomonas vaginalis chromobox protein, putative 0.0053 0.0612 0.0918
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Echinococcus granulosus GPCR family 2 0.0068 0.0838 0.0838
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
Schistosoma mansoni apoferritin-2 0.0014 0.0026 0.0026
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0127 0.174 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0101 0.0133
Loa Loa (eye worm) hypothetical protein 0.0147 0.2034 0.3069
Mycobacterium tuberculosis 1-acylglycerol-3-phosphate O-acyltransferase 0.0046 0.051 0.2827
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0127 0.174 0.2615
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0027 0.0215 0.1103
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
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
Brugia malayi Acyltransferase family protein 0.0046 0.051 0.0723
Giardia lamblia Fructose-bisphosphate aldolase 0.0222 0.3186 0.3595
Brugia malayi Latrophilin receptor protein 2 0.0068 0.0838 0.1227
Schistosoma mansoni ferritin light chain 0.0014 0.0026 0.0026
Toxoplasma gondii histone lysine methyltransferase SET1 0.009 0.1178 0.6694
Onchocerca volvulus Heterochromatin protein 1 homolog 0.003 0.0258 0.0325
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0016 0.0044 0.0044
Trichomonas vaginalis ap endonuclease, putative 0.0015 0.0041 0.0042
Treponema pallidum lysophosphatidic acid acyltransferase 0.0046 0.051 0.0744
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
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0061 0.0733 0.4071
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
Loa Loa (eye worm) hypothetical protein 0.0023 0.0161 0.0184
Loa Loa (eye worm) hypothetical protein 0.0127 0.174 0.2615
Brugia malayi Pre-SET motif family protein 0.0194 0.276 0.4187
Treponema pallidum fructose-bisphosphate aldolase 0.0222 0.3186 0.4854
Schistosoma mansoni cpg binding protein 0.005 0.0563 0.0563
Mycobacterium tuberculosis Probable trigger factor (TF) protein Tig 0.0061 0.0733 0.4125
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0701 0.0701
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
Leishmania major eukaryotic initiation factor 4a, putative 0.0127 0.174 0.2615
Loa Loa (eye worm) CXXC zinc finger family protein 0.0047 0.0522 0.0741
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase FKBP35 0.0443 0.6535 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0015 0.0041 0.0024
Brugia malayi latrophilin 2 splice variant baaae 0.0147 0.2034 0.3069
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0027 0.0215 0.0215
Echinococcus multilocularis isocitrate dehydrogenase 0.0027 0.0215 0.0215
Toxoplasma gondii isocitrate dehydrogenase 0.0027 0.0215 0.1022
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0068 0.0838 0.0838
Loa Loa (eye worm) FKBP5 protein 0.0443 0.6535 1
Echinococcus multilocularis muscleblind protein 1 0.0114 0.1534 0.1534
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0061 0.0733 1
Schistosoma mansoni chromobox protein 0.0053 0.0612 0.0612
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP4 0.0443 0.6535 0.6535
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
Loa Loa (eye worm) hypothetical protein 0.003 0.0258 0.0334
Leishmania major phosphopantetheinyl transferase-like protein 0.004 0.0411 0.0569
Toxoplasma gondii peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein 0.0061 0.0733 0.4071
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
Schistosoma mansoni ferritin 0.0014 0.0026 0.0026
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 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
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
Echinococcus multilocularis 0.0061 0.0733 0.0733
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12 0.0443 0.6535 1
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0127 0.174 0.174
Echinococcus granulosus ferritin 0.0014 0.0026 0.0026
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
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
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
Echinococcus granulosus geminin 0.0288 0.4184 0.4184
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0443 0.6535 0.6535
Loa Loa (eye worm) hypothetical protein 0.0141 0.1954 0.2946
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0127 0.174 0.1942
Plasmodium falciparum 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0046 0.051 0.0722
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0168 0.2362 0.2653
Echinococcus multilocularis geminin 0.0288 0.4184 0.4184
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
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
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
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
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 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
Echinococcus granulosus muscleblind protein 0.0114 0.1534 0.1534
Leishmania major 1-acyl-sn-glycerol-3-phosphateacyltransferase-like protein, putative 0.0046 0.051 0.0722
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0061 0.0733 0.0791
Mycobacterium leprae POSSIBLE TRANSMEMBRANE PHOSPHOLIPID BIOSYNTHESIS BIFUNCTIONAL ENZYME PLSC: PUTATIVE L-3-PHOSPHOSERINE PHOSPHATASE (O-PHOSPHOSERI 0.0046 0.051 0.3384
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0127 0.174 0.1942
Treponema pallidum exodeoxyribonuclease (exoA) 0.0015 0.0041 0.0024
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
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
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
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0127 0.174 0.174
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0015 0.0041 0.0091
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0027 0.0215 0.0215
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
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0101 0.0133
Schistosoma mansoni tar DNA-binding protein 0.0059 0.0701 0.0701
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
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
Echinococcus multilocularis chromobox protein 1 0.0053 0.0612 0.0612
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
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
Echinococcus granulosus chromobox protein 1 0.0053 0.0612 0.0612
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0141 0.1954 0.2946
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0061 0.0733 0.0791
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type , putative 0.0443 0.6535 0.7425
Schistosoma mansoni immunophilin FK506 binding protein FKBP12 0.0443 0.6535 0.6535
Brugia malayi eukaryotic initiation factor 4A 0.0127 0.174 0.2616
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33 0.0061 0.0733 0.1065
Giardia lamblia FKBP-type peptidyl-prolyl cis-trans isomerase 0.0061 0.0733 0.0791
Entamoeba histolytica hypothetical protein 0.0168 0.2362 0.2653
Echinococcus granulosus microtubule associated protein 2 0.0641 0.9546 0.9546
Onchocerca volvulus 0.0061 0.0733 0.1904
Schistosoma mansoni fk506 binding protein 0.0061 0.0733 0.0733
Schistosoma mansoni ap endonuclease 0.0015 0.0041 0.0041
Loa Loa (eye worm) TAR-binding protein 0.0059 0.0701 0.1016
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0027 0.0213 0.0213
Loa Loa (eye worm) RNA binding protein 0.0059 0.0701 0.1016
Mycobacterium leprae PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG 0.0061 0.0733 0.4938
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0733 0.1102
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
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0127 0.174 0.2615
Brugia malayi Calcitonin receptor-like protein seb-1 0.0214 0.3065 0.4657
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0258 0.0375
Plasmodium vivax RNA helicase-1, putative 0.0127 0.174 0.2615
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 multilocularis expressed protein 0.0014 0.0026 0.0026
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0068 0.0838 0.0838
Echinococcus granulosus FK506 binding protein 2 0.0061 0.0733 0.0733
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
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, FKBP-type, putative 0.0443 0.6535 0.7425
Echinococcus granulosus Msx-like 0.0044 0.0481 0.0481
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0109 0.1457 1
Chlamydia trachomatis glycerol-3-phosphate acyltransferase 0.0046 0.051 0.309
Schistosoma mansoni ferritin light chain 0.0014 0.0026 0.0026
Plasmodium falciparum eukaryotic initiation factor 4A 0.0127 0.174 0.2615
Brugia malayi Pre-SET motif family protein 0.0029 0.0244 0.0312
Entamoeba histolytica peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.0791
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0214 0.3065 0.4657
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0027 0.0215 0.0267
Echinococcus granulosus L aminoadipate semialdehyde 0.0141 0.1954 0.1954
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0109 0.1457 0.2199
Mycobacterium leprae conserved hypothetical protein 0.004 0.0411 0.269
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0027 0.0215 0.0215
Brugia malayi FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13 0.0061 0.0733 0.1065
Schistosoma mansoni hypothetical protein 0.0068 0.0838 0.0838
Mycobacterium ulcerans hypothetical protein 0.0061 0.0733 0.1086
Treponema pallidum peptidyl-prolyl cis-trans isomerase, FKBP-type, 22 kDa (fklB) 0.0443 0.6535 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0101 0.0133
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0032 0.0292 0.0439
Mycobacterium ulcerans 1-acylglycerol-3-phosphate O-acyltransferase 0.0046 0.051 0.0744
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
Echinococcus granulosus cpg binding protein 0.005 0.0563 0.0563
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.004 0.0411 0.2175
Schistosoma mansoni hypothetical protein 0.0671 1 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0068 0.0838 0.0838
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0042 0.044 0.0615
Brugia malayi exodeoxyribonuclease III family protein 0.0015 0.0041 0.0001
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
Echinococcus granulosus tar DNA binding protein 0.0059 0.0701 0.0701
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
Plasmodium falciparum peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
Brugia malayi isocitrate dehydrogenase 0.0027 0.0215 0.0268
Echinococcus granulosus FK506 binding protein 8 38 kDa 0.0061 0.0733 0.0733
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0042 0.044 0.0615
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0027 0.0215 0.0267
Echinococcus multilocularis 1 acyl sn glycerol 3 phosphate acyltransferase 0.0046 0.051 0.051
Schistosoma mansoni transcription factor 0.0044 0.0481 0.0481
Trichomonas vaginalis ferritin, putative 0.0014 0.0026 0.0018
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0027 0.0215 0.0215
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0109 0.1457 0.8352
Echinococcus multilocularis GPCR, family 2 0.0068 0.0838 0.0838
Leishmania major peptidylprolyl isomerase-like protein 0.0443 0.6535 1
Trypanosoma cruzi peptidyl-prolyl cis-trans isomerase, putative 0.0061 0.0733 0.1065
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
Loa Loa (eye worm) hypothetical protein 0.0061 0.0733 0.1065
Trypanosoma cruzi 1-acyl-sn-glycerol-3-phosphate acyltransferase, putative 0.0046 0.051 0.0722
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0029 0.0244 0.0244
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0127 0.174 0.2647
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
Trypanosoma cruzi FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative 0.0443 0.6535 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0127 0.174 0.2647
Brugia malayi RNA binding protein 0.0059 0.0701 0.1016
Trypanosoma cruzi macrophage infectivity potentiator, precursor, putative 0.0061 0.0733 0.1065
Schistosoma mansoni apoferritin-2 0.0014 0.0026 0.0026
Schistosoma mansoni cpg binding protein 0.0047 0.0522 0.0522
Leishmania major peptidyl-prolyl cis-trans isomerase, macrophage infectivity potentiator precursor, putative 0.0061 0.0733 0.1065
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0222 0.3186 0.3595
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0027 0.0215 0.0267
Trichomonas vaginalis fk506-binding protein, putative 0.0061 0.0733 0.1102
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 DNA repair and recombination protein RAD52, putative 0.0591 0.8787 1
Plasmodium vivax 70 kDa peptidylprolyl isomerase, putative 0.0443 0.6535 1
Onchocerca volvulus 0.0221 0.3166 1
Toxoplasma gondii acyltransferase domain-containing protein 0.0046 0.051 0.2761
Brugia malayi RNA recognition motif domain containing protein 0.0059 0.0701 0.1016
Echinococcus granulosus peptidyl prolyl cis trans isomerase FKBP1A 0.0443 0.6535 0.6535
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0141 0.1954 0.1954
Echinococcus granulosus eukaryotic initiation factor 4A 0.0127 0.174 0.174
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0042 0.044 0.044
Schistosoma mansoni ferritin 0.0014 0.0026 0.0026
Schistosoma mansoni hypothetical protein 0.0061 0.0733 0.0733
Loa Loa (eye worm) hypothetical protein 0.0046 0.051 0.0722
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0222 0.3186 0.4864
Loa Loa (eye worm) latrophilin receptor protein 2 0.0068 0.0838 0.1226
Schistosoma mansoni hypothetical protein 0.0288 0.4184 0.4184
Echinococcus multilocularis ferritin 0.0014 0.0026 0.0026
Treponema pallidum 4'-phosphopantetheinyl transferase 0.004 0.0411 0.0591
Brugia malayi CXXC zinc finger family protein 0.0047 0.0522 0.0742
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
Trichomonas vaginalis fk506-binding protein, putative 0.0443 0.6535 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0029 0.0244 0.0244
Entamoeba histolytica hypothetical protein 0.004 0.0411 0.0422
Schistosoma mansoni ap endonuclease 0.0015 0.0041 0.0041
Trichomonas vaginalis peptidylprolyl isomerase, putative 0.0443 0.6535 1
Schistosoma mansoni hypothetical protein 0.0068 0.0838 0.0838
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
Echinococcus multilocularis microtubule associated protein 2 0.0641 0.9546 0.9546
Toxoplasma gondii acyltransferase domain-containing protein 0.0046 0.051 0.2761
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 homeobox 0.0044 0.0481 0.0481
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0127 0.174 0.174
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.004 0.0411 0.0569
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0037 0.0375 0.0375
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0127 0.174 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0194 0.276 0.4186
Schistosoma mansoni hypothetical protein 0.0288 0.4184 0.4184
Wolbachia endosymbiont of Brugia malayi FKBP-type peptidylprolyl isomerase 0.0061 0.0733 1
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0127 0.174 0.2647
Loa Loa (eye worm) hypothetical protein 0.0114 0.1534 0.2298
Echinococcus granulosus expressed protein 0.0014 0.0026 0.0026
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.004 0.0411 0.2175
Brugia malayi Heterochromatin protein 1 0.0053 0.0612 0.088
Onchocerca volvulus 0.0061 0.0733 0.1904
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0042 0.044 0.044
Echinococcus multilocularis peptidyl prolyl cis trans isomerase FKBP4 0.0382 0.5609 0.5609
Treponema pallidum ATP-dependent RNA helicase 0.0127 0.174 0.2633
Toxoplasma gondii isocitrate dehydrogenase 0.0027 0.0215 0.1022
Mycobacterium ulcerans bifunctional transmembrane phospholipid biosynthesis enzyme PlsC 0.0046 0.051 0.0744
Trypanosoma brucei peptidyl-prolyl cis-trans isomerase, putative 0.0443 0.6535 1
Trichomonas vaginalis conserved hypothetical protein 0.0061 0.0733 0.1102
Plasmodium vivax SET domain protein, putative 0.0029 0.0244 0.0312
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.004 0.0411 0.0569
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0214 0.3065 0.4656
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0015 0.0041 0.022
Giardia lamblia Hypothetical protein 0.0061 0.0733 0.0791
Loa Loa (eye worm) FKBP-type peptidyl-prolyl cis-trans isomerase-30 0.0061 0.0733 0.1065
Trypanosoma brucei hypothetical protein, conserved 0.0061 0.0733 0.1065
Onchocerca volvulus 0.0141 0.1954 0.5969

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 18.6 uM Inhibition of ADP-induced human platelet aggregation ChEMBL. 1370696
IC50 (functional) = 18.6 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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