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

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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