Detailed information for compound 2002347

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.34 | Formula: C17H18F3N3O
  • H donors: 2 H acceptors: 3 LogP: 2.2 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: OCC1(CCC1)NCc1ccnc(n1)c1ccc(cc1)C(F)(F)F
  • InChi: 1S/C17H18F3N3O/c18-17(19,20)13-4-2-12(3-5-13)15-21-9-6-14(23-15)10-22-16(11-24)7-1-8-16/h2-6,9,22,24H,1,7-8,10-11H2
  • InChiKey: MVFQSPBYCOGHLY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

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 granulosus histone lysine methyltransferase setb 0.0017 0.0009 0.0015
Brugia malayi beta-NAC-like protein 0.0156 0.2049 0.9593
Loa Loa (eye worm) hypothetical protein 0.0072 0.0821 0.3845
Echinococcus granulosus histone acetyltransferase KAT2B 0.0122 0.1548 0.2744
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0125 0.1596 0.4593
Mycobacterium leprae PROBABLE DNA POLYMERASE III (ALPHA CHAIN) DNAE1 (DNA NUCLEOTIDYLTRANSFERASE) 0.0147 0.1916 0.2748
Brugia malayi HSF-type DNA-binding domain containing protein 0.0085 0.1007 0.4715
Brugia malayi Bromodomain containing protein 0.0079 0.0917 0.4291
Entamoeba histolytica heat shock transcription factor, putative 0.0085 0.1007 0.4715
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0162 0.2136 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0039 0.0332 0.0589
Echinococcus granulosus lamin 0.0051 0.0499 0.0885
Entamoeba histolytica hypothetical protein 0.0031 0.0209 0.0978
Echinococcus granulosus SAM and MBT domain containing protein 0.0042 0.0367 0.0649
Plasmodium vivax ataxin-2 like protein, putative 0.0022 0.0078 0.0117
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.2049 0.9593
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0125 0.1596 0.7472
Brugia malayi intermediate filament protein 0.0051 0.0499 0.2338
Echinococcus granulosus polycomb protein SCMH1 0.0042 0.0367 0.0649
Entamoeba histolytica heat shock transcription factor, putative 0.0085 0.1007 0.4715
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0164 0.2166 0.3839
Treponema pallidum DNA polymerase III subunit alpha 0.0146 0.1905 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0023 0.009 0.009
Schistosoma mansoni jumonji/arid domain-containing protein 0.0052 0.0526 0.1514
Schistosoma mansoni hypothetical protein 0.0055 0.057 0.164
Toxoplasma gondii LsmAD domain-containing protein 0.0022 0.0078 0.0117
Leishmania major hypothetical protein, conserved 0.0022 0.0078 0.0379
Loa Loa (eye worm) hypothetical protein 0.0017 0 0.0001
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0062 0.0289
Loa Loa (eye worm) hypothetical protein 0.005 0.0486 0.2275
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0031 0.0209 0.0209
Brugia malayi Intermediate filament tail domain containing protein 0.0051 0.0499 0.2338
Loa Loa (eye worm) hypothetical protein 0.0029 0.0185 0.0867
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0162 0.2136 1
Trypanosoma brucei transcription factor BTF3, putative 0.0156 0.2049 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0435 0.2036
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0078 0.0903 0.4229
Loa Loa (eye worm) hypothetical protein 0.0034 0.0262 0.1228
Schistosoma mansoni zinc finger protein 0.0023 0.0091 0.0262
Schistosoma mansoni lamin 0.0051 0.0499 0.1437
Echinococcus granulosus fetal alzheimer antigen falz 0.0023 0.009 0.016
Brugia malayi Probable ATP-dependent helicase DHX35 0.014 0.1822 0.8529
Loa Loa (eye worm) hypothetical protein 0.0052 0.0525 0.246
Trypanosoma brucei PAB1-binding protein , putative 0.0022 0.0078 0.0379
Loa Loa (eye worm) hypothetical protein 0.0017 0.0009 0.004
Mycobacterium ulcerans isocitrate lyase AceAb 0.048 0.6829 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.007 0.0788 0.3843
Onchocerca volvulus 0.0162 0.2136 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0406 0.1903
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0078 0.0117
Chlamydia trachomatis DNA gyrase subunit B 0.0042 0.0378 0.1748
Trypanosoma brucei hypothetical protein, conserved 0.002 0.0055 0.0265
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0125 0.1596 0.7472
Entamoeba histolytica hypothetical protein 0.0031 0.0209 0.0978
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.005 0.0489 0.2287
Entamoeba histolytica DNA topoisomerase II, putative 0.0078 0.0903 0.4229
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0031 0.0209 0.037
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0063 0.0689 0.0688
Schistosoma mansoni jumonji domain containing protein 0.005 0.0498 0.1432
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.2049 0.9593
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0039 0.0332 0.1555
Schistosoma mansoni transcription factor btf3 0.0156 0.2049 0.5897
Brugia malayi Bromodomain containing protein 0.0042 0.037 0.1732
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0026 0.0133 0.0194
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0128 0.1635 0.1635
Loa Loa (eye worm) hypothetical protein 0.0023 0.01 0.047
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE1 (DNA nucleotidyltransferase) 0.0147 0.1916 0.2805
Schistosoma mansoni hypothetical protein 0.0021 0.0062 0.0177
Loa Loa (eye worm) hypothetical protein 0.0071 0.0808 0.3781
Brugia malayi Calcitonin receptor-like protein seb-1 0.0043 0.0384 0.1799
Brugia malayi acetyltransferase, GNAT family protein 0.0128 0.1635 0.7655
Echinococcus granulosus zinc finger protein 0.0023 0.0091 0.0161
Loa Loa (eye worm) MH2 domain-containing protein 0.0103 0.1274 0.5967
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0039 0.0332 0.1393
Loa Loa (eye worm) transcription factor SMAD2 0.0103 0.1274 0.5967
Brugia malayi mbt repeat family protein 0.0042 0.0367 0.1715
Echinococcus multilocularis transcription factor btf3 0.0156 0.2049 0.2049
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0162 0.2136 1
Entamoeba histolytica heat shock transcription factor, putative 0.0085 0.1007 0.4715
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.029 0.0513
Echinococcus multilocularis neuropeptide s receptor 0.04 0.5641 0.5641
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0489 0.2384
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0164 0.2166 0.2166
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0057 0.0587 0.1249
Wolbachia endosymbiont of Brugia malayi DNA polymerase III alpha subunit 0.0146 0.1905 1
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.005 0.0498 0.0882
Plasmodium vivax DNA gyrase subunit B, putative 0.0026 0.0133 0.0391
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0017 0 0.0001
Leishmania major DNA topoisomerase ii 0.007 0.0788 0.3843
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0039 0.0332 0.1393
Schistosoma mansoni sex comb on midleg homolog 0.0042 0.0367 0.1054
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0072 0.0821 0.2363
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0125 0.1596 0.2828
Loa Loa (eye worm) hypothetical protein 0.0023 0.01 0.047
Echinococcus granulosus lamin dm0 0.0051 0.0499 0.0885
Plasmodium falciparum DNA topoisomerase 2 0.0078 0.0903 0.4256
Loa Loa (eye worm) ICD-1 protein 0.0156 0.2049 0.9593
Trichomonas vaginalis DNA topoisomerase II, putative 0.0078 0.0903 0.4229
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0047 0.0451 0.0451
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0125 0.1596 0.4593
Schistosoma mansoni jumonji/arid domain-containing protein 0.0052 0.0526 0.1514
Echinococcus granulosus transcription factor btf3 0.0156 0.2049 0.3632
Brugia malayi PHD-finger family protein 0.0028 0.0171 0.0798
Schistosoma mansoni lamin 0.0051 0.0499 0.1437
Plasmodium vivax DNA topoisomerase II, putative 0.0078 0.0903 0.4256
Trypanosoma cruzi transcription factor btf3, putative 0.0156 0.2049 1
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0017 0.0009 0.0008
Entamoeba histolytica hypothetical protein 0.002 0.0055 0.0254
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0047 0.0451 0.2112
Mycobacterium tuberculosis Probable isocitrate lyase AceAb [second part] (isocitrase) (isocitratase) (Icl) 0.048 0.6829 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0027 0.0154 0.0719
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.005 0.0498 0.0497
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0009 0.0024
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0009 0.0024
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0125 0.1596 0.1596
Trypanosoma cruzi DNA topoisomerase II, putative 0.007 0.0788 0.3843
Toxoplasma gondii NAC domain-containing protein 0.0156 0.2049 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0026 0.0133 0.0194
Brugia malayi Probable DNA topoisomerase II 0.0078 0.0903 0.4229
Echinococcus granulosus neuropeptide receptor A26 0.04 0.5641 1
Brugia malayi hypothetical protein 0.0022 0.0078 0.0364
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0162 0.2136 1
Trichomonas vaginalis conserved hypothetical protein 0.0156 0.2049 0.9593
Plasmodium falciparum ataxin-2 like protein, putative 0.0022 0.0078 0.0117
Loa Loa (eye worm) TOPoisomerase family member 0.0078 0.0903 0.4229
Echinococcus multilocularis SAM and MBT domain containing protein 0.0042 0.0367 0.0366
Schistosoma mansoni sex comb on midleg homolog 0.0042 0.0367 0.1054
Loa Loa (eye worm) hypothetical protein 0.014 0.1822 0.8529
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.002 0.0055 0.008
Echinococcus granulosus neuropeptide s receptor 0.04 0.5641 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0009 0.0015
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0026 0.0133 0.0421
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0024 0.0114 0.0114
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0112 0.1402 0.2052
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.029 0.0289
Mycobacterium tuberculosis Conserved hypothetical protein 0.0028 0.0161 0.0236
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0162 0.2136 1
Leishmania major mitochondrial DNA topoisomerase II 0.0061 0.0658 0.321
Onchocerca volvulus 0.0051 0.0499 0.0751
Loa Loa (eye worm) hypothetical protein 0.0034 0.0262 0.1228
Echinococcus multilocularis histone acetyltransferase MYST2 0.0047 0.0451 0.0451
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0061 0.0658 0.321
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0057 0.0587 0.1249
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0128 0.1635 0.4705
Schistosoma mansoni myelin transcription factor 1 myt1 0.0047 0.0451 0.1298
Trypanosoma cruzi hypothetical protein, conserved 0.005 0.0489 0.2384
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0078 0.0379
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0072 0.0821 0.3844
Loa Loa (eye worm) MBCTL1 0.0047 0.0451 0.2113
Plasmodium vivax basic transcription factor 3b, putative 0.0156 0.2049 1
Schistosoma mansoni transcription factor LCR-F1 0.0031 0.0209 0.0601
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.002 0.0055 0.008
Loa Loa (eye worm) hypothetical protein 0.0047 0.0451 0.2113
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0039 0.0332 0.1393
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0063 0.0294
Loa Loa (eye worm) hypothetical protein 0.0022 0.0078 0.0365
Trypanosoma cruzi PAB1-binding protein , putative 0.0022 0.0078 0.0379
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0078 0.0903 0.1601
Mycobacterium tuberculosis Probable DNA polymerase III (alpha chain) DnaE2 (DNA nucleotidyltransferase) 0.0147 0.1916 0.2805
Mycobacterium tuberculosis Probable isocitrate lyase AceAa [first part] (isocitrase) (isocitratase) (Icl) 0.048 0.6829 1
Loa Loa (eye worm) mbt repeat family protein 0.0042 0.0367 0.1716
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0057 0.0587 0.1249
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0042 0.0367 0.1054
Schistosoma mansoni hypothetical protein 0.0029 0.0185 0.0532
Loa Loa (eye worm) acetyltransferase 0.0128 0.1635 0.7655
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0063 0.0689 0.122
Echinococcus multilocularis neuropeptide receptor A26 0.04 0.5641 0.5641
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0162 0.2136 1
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0078 0.0903 0.0903
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0125 0.1596 0.1596
Echinococcus multilocularis lamin dm0 0.0051 0.0499 0.0499
Loa Loa (eye worm) hypothetical protein 0.0051 0.0499 0.2338
Onchocerca volvulus 0.0072 0.0821 0.257
Schistosoma mansoni hypothetical protein 0.0031 0.0209 0.0601
Brugia malayi jmjC domain containing protein 0.0052 0.0526 0.2462
Mycobacterium leprae PROBABLE ISOCITRATE LYASE AceA (ISOCITRASE) (ISOCITRATASE) (ICL) 0.048 0.6829 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0072 0.0821 0.0821
Brugia malayi mbt repeat family protein 0.0042 0.0367 0.1715
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0026 0.0133 0.0421
Echinococcus multilocularis lysine specific demethylase 5A 0.005 0.0498 0.0497
Echinococcus multilocularis zinc finger protein 0.0023 0.0091 0.0091
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0051 0.0499 0.2338
Brugia malayi cytoplasmic intermediate filament protein 0.0027 0.0154 0.0718
Echinococcus granulosus L aminoadipate semialdehyde 0.0072 0.0821 0.1455
Mycobacterium ulcerans isocitrate lyase Icl 0.048 0.6829 1
Schistosoma mansoni bromodomain containing protein 0.0067 0.0742 0.2135
Toxoplasma gondii DNA topoisomerase 2, putative 0.0078 0.0903 0.4256
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0162 0.2136 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0367 0.1716
Entamoeba histolytica hypothetical protein 0.0031 0.0209 0.0978
Mycobacterium leprae Isocitrate lyase 0.0225 0.3071 0.4452
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0162 0.2136 1
Leishmania major hypothetical protein, conserved 0.005 0.0489 0.2384
Mycobacterium ulcerans hypothetical protein 0.0028 0.0161 0.0236
Chlamydia trachomatis DNA gyrase subunit B 0.0026 0.0133 0.0421
Brugia malayi latrophilin 2 splice variant baaae 0.0029 0.0185 0.0866
Mycobacterium ulcerans error-prone DNA polymerase 0.0146 0.1905 0.2789
Brugia malayi hypothetical protein 0.0031 0.0209 0.0978
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0125 0.1596 0.4593
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0043 0.0384 0.18
Echinococcus multilocularis musashi 0.0051 0.0499 0.0499
Plasmodium falciparum basic transcription factor 3b, putative 0.0156 0.2049 1
Brugia malayi jmjC domain containing protein 0.005 0.0498 0.2329
Entamoeba histolytica acetyltransferase, GNAT family 0.0034 0.0252 0.1179
Schistosoma mansoni hypothetical protein 0.0253 0.3475 1
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.005 0.0489 0.2384
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0125 0.1596 0.2828
Entamoeba histolytica hypothetical protein 0.0156 0.2049 0.9593
Onchocerca volvulus 0.0051 0.0499 0.0751
Mycobacterium tuberculosis Isocitrate lyase Icl (isocitrase) (isocitratase) 0.048 0.6829 1
Loa Loa (eye worm) hypothetical protein 0.0085 0.1007 0.4716
Echinococcus granulosus histone acetyltransferase MYST2 0.0047 0.0451 0.0799
Loa Loa (eye worm) hypothetical protein 0.0039 0.0326 0.1526
Plasmodium falciparum histone acetyltransferase GCN5 0.0034 0.0252 0.099
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0047 0.0451 0.0799
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0023 0.009 0.0259
Leishmania major phosphopantetheinyl transferase-like protein 0.002 0.0055 0.0265
Entamoeba histolytica hypothetical protein 0.0031 0.0209 0.0978
Schistosoma mansoni intermediate filament proteins 0.0051 0.0499 0.1437
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0162 0.2136 1
Loa Loa (eye worm) DEAH box polypeptide 35 0.014 0.1822 0.8529
Loa Loa (eye worm) hypothetical protein 0.0052 0.0525 0.246
Leishmania major basic transcription factor 3a, putative 0.0156 0.2049 1
Mycobacterium ulcerans DNA polymerase III subunit alpha 0.0146 0.1905 0.2789
Schistosoma mansoni DNA topoisomerase II 0.0078 0.0903 0.2599
Trypanosoma cruzi DNA topoisomerase II, putative 0.007 0.0788 0.3843
Loa Loa (eye worm) jmjC domain-containing protein 0.0052 0.0526 0.2463
Trichomonas vaginalis bromodomain-containing protein, putative 0.0039 0.0332 0.1555
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.002 0.0055 0.008
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0043 0.0384 0.1799
Trypanosoma cruzi transcription factor btf3, putative 0.0156 0.2049 1
Giardia lamblia DNA topoisomerase II 0.0075 0.0853 0.3991
Plasmodium falciparum DNA gyrase subunit B 0.0026 0.0133 0.0391
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.0026 0.0133 0.0391
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0061 0.0658 0.321
Loa Loa (eye worm) intermediate filament protein 0.0051 0.0499 0.2338
Trypanosoma brucei DNA topoisomerase ii 0.0061 0.0658 0.321
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0078 0.0903 0.4229
Loa Loa (eye worm) hypothetical protein 0.0024 0.0114 0.0534
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0024 0.0114 0.0202
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0017 0.0009 0.0024
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0009 0.0024
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0162 0.2136 1
Echinococcus granulosus lysine specific demethylase 5A 0.0052 0.0526 0.0932
Brugia malayi MH2 domain containing protein 0.0103 0.1274 0.5966
Echinococcus multilocularis polycomb protein SCMH1 0.0042 0.0367 0.0366
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0162 0.2136 1
Chlamydia trachomatis DNA polymerase III subunit alpha 0.0146 0.1905 1
Echinococcus multilocularis lamin 0.0051 0.0499 0.0499
Entamoeba histolytica transcription factor BTF3, putative 0.0156 0.2049 0.9593
Giardia lamblia Histone acetyltransferase GCN5 0.0034 0.0252 0.1179
Trypanosoma brucei RNA helicase, putative 0.0055 0.057 0.2781
Loa Loa (eye worm) hypothetical protein 0.0043 0.0384 0.18
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.005 0.0489 0.2287
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0009 0.0008
Trypanosoma brucei DNA topoisomerase II beta, putative 0.007 0.0788 0.3843
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0162 0.2136 0.3127
Echinococcus granulosus intermediate filament protein 0.0051 0.0499 0.0885
Onchocerca volvulus Heat shock factor protein 2 homolog 0.0085 0.1007 0.3621

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 20000 nM BindingDB_Patents: Calcium Flux Assay. Experiments were conducted using the FLIPRTETRA®. On the day prior to the experiment, recombinant HEK293 cells that stably express human and mouse TRPV3 were removed from tissue culture flasks and plated in growth medium at 20,000 cells/well into black-walled clear-bottom 384-well Biocoat poly-D-lysine assay plates (BD Biosciences, Bedford, Mass.) using a Multidrop® dispenser (ThermoScientific, Waltham, Mass.). On the day of the experiment, growth medium was removed, and the no-wash FLIPR® Calcium-4 dye (¿EX=470-495 nm, ¿EM=515-575 nm; Molecular Devices, Sunnyvale, Calif.) was added to each well using the Multidrop® dispenser. Cells were incubated for 90-120 minutes in the dark. Compounds were dissolved in DMSO to prepare a 10 mM stock solution. The intensity of the fluorescence was captured and digitally transferred to an interfaced PC. ChEMBL. No reference

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

No literature references available for this target.

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