Detailed information for compound 1423474

Basic information

Technical information
  • TDR Targets ID: 1423474
  • Name: 4-amino-N'-(3,5-dimethylphenyl)-N'-[2-(furan- 2-ylmethylamino)-2-oxoethyl]-1,2-thiazole-3,5 -dicarboxamide
  • MW: 427.477 | Formula: C20H21N5O4S
  • H donors: 3 H acceptors: 4 LogP: 2.08 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(CN(C(=O)c1snc(c1N)C(=O)N)c1cc(C)cc(c1)C)NCc1ccco1
  • InChi: 1S/C20H21N5O4S/c1-11-6-12(2)8-13(7-11)25(10-15(26)23-9-14-4-3-5-29-14)20(28)18-16(21)17(19(22)27)24-30-18/h3-8H,9-10,21H2,1-2H3,(H2,22,27)(H,23,26)
  • InChiKey: YGIOTOKPKZERQG-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 4-amino-N'-(3,5-dimethylphenyl)-N'-[2-(2-furylmethylamino)-2-oxo-ethyl]isothiazole-3,5-dicarboxamide
  • 4-amino-N'-(3,5-dimethylphenyl)-N'-[2-(2-furylmethylamino)-2-oxoethyl]isothiazole-3,5-dicarboxamide
  • 4-amino-N'-(3,5-dimethylphenyl)-N'-[2-(2-furylmethylamino)-2-keto-ethyl]isothiazole-3,5-dicarboxamide
  • 4-amino-N'-(3,5-dimethylphenyl)-N'-[2-(furan-2-ylmethylamino)-2-oxo-ethyl]-1,2-thiazole-3,5-dicarboxamide
  • ASN 05213792
  • Oprea1_687414
  • 4-Amino-isothiazole-3,5-dicarboxylic acid 3-amide 5-((3,5-dimethyl-phenyl)-{[(furan-2-ylmethyl)-carbamoyl]-methyl}-amide)
  • MLS000526143
  • SMR000116617
  • Oprea1_815373

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni coup transcription factor 0.0022 0.0058 0.0058
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.0315 0.0315
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.0304 0.0304
Brugia malayi abnormal cell lineage protein 10 (Protein lin-10), putative 0.0067 0.0311 0.0311
Entamoeba histolytica hypothetical protein 0.0502 0.2765 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0113 0.0113
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0151 0.0151
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0031 0.0031
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0085 0.0466
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0031 0.0031
Toxoplasma gondii transporter, cation channel family protein 0.0022 0.0058 0.0097
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0058 0.0058
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0031 0.0025
Trypanosoma cruzi hypothetical protein, conserved 0.0231 0.1239 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0054 0.024 0.024
Loa Loa (eye worm) X11 protein 0.0075 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0077 0.0368 0.0368
Schistosoma mansoni high voltage-activated calcium channel Cav2A 0.0105 0.0524 0.0524
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0502 0.2765 1
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0105 0.0524 0.0524
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0022 0.0058 0.0058
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0041 0.0164 0.0485
Brugia malayi Bromodomain containing protein 0.0042 0.0169 0.0169
Echinococcus multilocularis thyroid hormone receptor alpha 0.0022 0.0058 0.0058
Brugia malayi isocitrate dehydrogenase 0.0017 0.0031 0.0031
Echinococcus multilocularis ecdysone induced protein 78C 0.0022 0.0058 0.0058
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0022 0.0058 0.0058
Mycobacterium ulcerans hypothetical protein 0.0032 0.0113 0.0105
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0031 0.0031
Echinococcus granulosus GPCR family 2 0.0017 0.0031 0.0031
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0058 0.0058
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0031 0.0031
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0031 0.0011
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0227 0.1215 0.1215
Brugia malayi Bromodomain containing protein 0.0083 0.0405 0.0405
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0149 0.042
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0067 0.0311 0.0311
Giardia lamblia PHD finger protein 15 0.0032 0.0113 0.5
Schistosoma mansoni transcription factor btf3 0.0038 0.0149 0.0149
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0031 0.0031
Brugia malayi Steroid receptor seven-up type 2 0.0022 0.0058 0.0058
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0031 0.0031
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel alpha 1 0.0105 0.0524 0.0524
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0041 0.0164 0.0296
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0058 0.0058
Schistosoma mansoni zinc finger protein 0.0017 0.0028 0.0028
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0022 0.0058 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0022 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.1785 1 1
Echinococcus multilocularis cpg binding protein 0.0035 0.0132 0.0132
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0031 0.0011
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0022 0.0058 0.0058
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0031 0.0031
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0027 0.0085 0.0195
Trypanosoma brucei transcription factor BTF3, putative 0.0038 0.0149 0.0441
Echinococcus multilocularis zinc finger protein 0.0023 0.0065 0.0065
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0502 0.2765 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0039 0.0039
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0019 0.0039 0.0039
Brugia malayi MH2 domain containing protein 0.013 0.0667 0.0667
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0113 0.0113
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0246 0.0246
Onchocerca volvulus 0.0031 0.0111 0.0052
Schistosoma mansoni nuclear hormone receptor 0.0022 0.0058 0.0058
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0083 0.0083
Echinococcus granulosus jumonji domain containing protein 0.0044 0.0183 0.0183
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0031 0.0031
Echinococcus multilocularis voltage dependent calcium channel 0.0105 0.0524 0.0524
Echinococcus granulosus peregrin 0.0034 0.0128 0.0128
Loa Loa (eye worm) SCP-2 sterol transfer family protein 0.0032 0.0112 0.0112
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0031 0.0011
Onchocerca volvulus 0.0258 0.1391 0.1341
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0022 0.0058 0.0058
Brugia malayi jmjC domain containing protein 0.0104 0.052 0.052
Plasmodium falciparum phd finger protein, putative 0.0032 0.0113 0.0397
Brugia malayi Nuclear hormone receptor-like 1 0.0022 0.0058 0.0058
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0031 0.0031
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0031 0.01
Toxoplasma gondii MaoC family domain-containing protein 0.0049 0.021 0.0653
Schistosoma mansoni glutaminase 0.0297 0.1611 0.1611
Mycobacterium tuberculosis Conserved hypothetical protein 0.0032 0.0113 0.0298
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0058 0.0058
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0113 0.0397
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0022 0.0058 0.0058
Mycobacterium tuberculosis Probable 3-hydroxyacyl-thioester dehydratase HtdY 0.0081 0.0388 0.1306
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0085 0.0206
Loa Loa (eye worm) oxidoreductase 0.0035 0.013 0.013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0246 0.0246
Echinococcus granulosus voltage dependent calcium channel 0.0022 0.0058 0.0058
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0031 0.0031
Loa Loa (eye worm) hypothetical protein 0.0072 0.0339 0.0339
Brugia malayi sterol carrier protein 0.0032 0.0112 0.0112
Toxoplasma gondii sterol carrier protein-2 HAD-2SCP-2 0.0072 0.0342 0.1136
Mycobacterium ulcerans hypothetical protein 0.0032 0.0113 0.0105
Trypanosoma cruzi hypothetical protein, conserved 0.0231 0.1239 1
Loa Loa (eye worm) glutaminase 0.0297 0.1611 0.1611
Schistosoma mansoni bromodomain containing protein 0.0071 0.0333 0.0333
Brugia malayi CXXC zinc finger family protein 0.0031 0.0111 0.0111
Leishmania major phosphopantetheinyl transferase-like protein 0.0502 0.2765 1
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0014 0.0014 0.0014
Brugia malayi Bromodomain containing protein 0.0034 0.0128 0.0128
Schistosoma mansoni hypothetical protein 0.0017 0.0031 0.0031
Brugia malayi ecdysteroid receptor 0.0022 0.0058 0.0058
Echinococcus multilocularis voltage dependent calcium channel type d subunit 0.0105 0.0524 0.0524
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0058 0.0058
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0226 0.0226
Onchocerca volvulus Alhambra homolog 0.0032 0.0113 0.0055
Schistosoma mansoni methyl-cpg binding protein mbd 0.0019 0.0039 0.0039
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0104 0.052 0.052
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0061 0.0061
Echinococcus granulosus histone lysine methyltransferase setb 0.0052 0.0226 0.0226
Loa Loa (eye worm) voltage-dependent calcium channel 0.0022 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0032 0.0112 0.0112
Echinococcus granulosus FTZ F1 alpha 0.0022 0.0058 0.0058
Mycobacterium ulcerans transcriptional regulator 0.0032 0.0112 0.0103
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0052 0.0226 0.0226
Mycobacterium ulcerans hypothetical protein 0.0081 0.0388 0.1133
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0022 0.0058 0.0058
Echinococcus granulosus transcription factor btf3 0.0038 0.0149 0.0149
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0246 0.0246
Echinococcus granulosus methyl CpG binding domain protein 2 0.0019 0.0039 0.0039
Loa Loa (eye worm) hypothetical protein 0.0279 0.1506 0.1506
Brugia malayi Pre-SET motif family protein 0.0033 0.0121 0.0121
Trypanosoma brucei Voltage-dependent calcium channel subunit, putative 0.0064 0.0293 0.0967
Loa Loa (eye worm) hypothetical protein 0.0022 0.0058 0.0058
Brugia malayi maoC like domain containing protein 0.0081 0.0388 0.0388
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0502 0.2765 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0022 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0042 0.017 0.017
Loa Loa (eye worm) hypothetical protein 0.0105 0.0524 0.0524
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0035 0.013 0.013
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0031 0.0031
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0022 0.0058 0.0058
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0022 0.0058 0.0058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0022 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0019 0.0043 0.0043
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0058 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0022 0.0058 0.0058
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0033 0.0121 0.0121
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0818 0.4544 0.4544
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0022 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0037 0.0144 0.0144
Loa Loa (eye worm) hypothetical protein 0.0022 0.0058 0.0058
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0022 0.0058 0.0058
Loa Loa (eye worm) MH2 domain-containing protein 0.013 0.0667 0.0667
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0041 0.0164 0.0296
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0031 0.0031
Echinococcus granulosus zinc finger protein 0.0023 0.0065 0.0065
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0149 0.042
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0246 0.0246
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0019 0.0043 0.0043
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0105 0.0524 0.0524
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0502 0.2765 1
Trypanosoma brucei hypothetical protein, conserved 0.0231 0.1239 0.4425
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0022 0.0058 0.0058
Toxoplasma gondii hypothetical protein 0.0019 0.0043 0.0043
Schistosoma mansoni hypothetical protein 0.0032 0.0113 0.0113
Loa Loa (eye worm) hypothetical protein 0.0014 0.0015 0.0015
Trypanosoma cruzi Voltage-dependent calcium channel subunit, putative 0.0064 0.0293 0.2186
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0113 0.03
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0022 0.0058 0.0058
Echinococcus granulosus voltage dependent calcium channel type d subunit|voltage dependent calcium channel|voltage dependent L type calcium channel subu 0.0105 0.0524 0.0524
Loa Loa (eye worm) hypothetical protein 0.0017 0.0031 0.0031
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0022 0.0058 0.0058
Mycobacterium ulcerans dehydratase 0.0081 0.0388 0.1133
Echinococcus multilocularis sodium channel protein 0.0044 0.0185 0.0185
Trichomonas vaginalis set domain proteins, putative 0.0258 0.1391 0.8559
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0031 0.0031
Echinococcus multilocularis FTZ F1 alpha 0.0022 0.0058 0.0058
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0502 0.2765 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0246 0.0246
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0022 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0044 0.0184 0.0184
Brugia malayi jmjC domain containing protein 0.0042 0.0173 0.0173
Schistosoma mansoni jumonji domain containing protein 0.0083 0.04 0.04
Brugia malayi SCP-2 sterol transfer family protein 0.0032 0.0112 0.0112
Schistosoma mansoni hypothetical protein 0.0017 0.0031 0.0031
Echinococcus multilocularis peregrin 0.0034 0.0128 0.0128
Loa Loa (eye worm) hypothetical protein 0.0019 0.0043 0.0043
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0022 0.0058 0.0058
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0031 0.01
Mycobacterium leprae conserved hypothetical protein 0.0502 0.2765 1
Loa Loa (eye worm) hypothetical protein 0.0022 0.0058 0.0058
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0022 0.0058 0.0058
Schistosoma mansoni thyroid hormone receptor 0.0022 0.0058 0.0058
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0022 0.0058 0.0058
Mycobacterium ulcerans hypothetical protein 0.0032 0.0113 0.0105
Echinococcus granulosus amyloid beta A4 protein 0.0075 0.0356 0.0356
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0502 0.2765 1
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0173 0.0173
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0111 0.0111
Toxoplasma gondii NAC domain-containing protein 0.0038 0.0149 0.043
Onchocerca volvulus 0.0033 0.0121 0.0063
Brugia malayi PHD-finger family protein 0.0014 0.0015 0.0015
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0022 0.0058 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0022 0.0058 0.0058
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0246 0.0246
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0031 0.0031
Echinococcus granulosus voltage dependent calcium channel 0.0105 0.0524 0.0524
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0022 0.0058 0.0058
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.1785 1 1
Mycobacterium ulcerans (3R)-hydroxyacyl-ACP dehydratase subunit HadA 0.0032 0.0113 0.0105
Loa Loa (eye worm) jmjC domain-containing protein 0.0042 0.0173 0.0173
Loa Loa (eye worm) hypothetical protein 0.0032 0.0113 0.0113
Schistosoma mansoni zinc finger protein 0.0023 0.0065 0.0065
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0033 0.0121 0.0329
Brugia malayi Calcitonin receptor-like protein seb-1 0.0054 0.024 0.024
Leishmania major hypothetical protein, conserved 0.0231 0.1239 0.4425
Mycobacterium tuberculosis Conserved protein 0.0027 0.0085 0.0195
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0043 0.0043
Loa Loa (eye worm) hypothetical protein 0.0022 0.0058 0.0058
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0033 0.0121 0.0121
Schistosoma mansoni hypothetical protein 0.0017 0.0031 0.0031
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0022 0.0058 0.0058
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0113 0.0113
Brugia malayi nuclear receptor NHR-88 0.0022 0.0058 0.0058
Plasmodium falciparum basic transcription factor 3b, putative 0.0038 0.0149 0.0526
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0054 0.024 0.024
Echinococcus granulosus citrate lyase subunit beta protein 0.0027 0.0085 0.0085
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0041 0.0164 0.0164
Echinococcus granulosus L aminoadipate semialdehyde 0.1785 1 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.024 0.024
Brugia malayi PHD-finger family protein 0.0032 0.0113 0.0113
Schistosoma mansoni hypothetical protein 0.0017 0.0031 0.0031
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0104 0.052 0.052
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.0183 0.0183
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0502 0.2765 1
Trypanosoma brucei hypothetical protein, conserved 0.0502 0.2765 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0022 0.0058 0.0058
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0246 0.0246
Mycobacterium tuberculosis Probable dehydrogenase. Possible 2-enoyl acyl-CoA hydratase. 0.0081 0.0388 0.1306
Leishmania major basic transcription factor 3a, putative 0.0038 0.0149 0.0441
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0502 0.2765 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0083 0.0083
Loa Loa (eye worm) glutaminase 2 0.0297 0.1611 0.1611
Schistosoma mansoni cpg binding protein 0.0035 0.0132 0.0132
Brugia malayi F/Y-rich N-terminus family protein 0.0023 0.0065 0.0065
Schistosoma mansoni RAR-like nuclear receptor 0.0022 0.0058 0.0058
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0083 0.0083
Brugia malayi nuclear hormone receptor 0.0022 0.0058 0.0058
Schistosoma mansoni steroid hormone receptor ad4bp 0.0022 0.0058 0.0058
Brugia malayi latrophilin 2 splice variant baaae 0.0037 0.0144 0.0144
Schistosoma mansoni hypothetical protein 0.0022 0.0061 0.0061
Trichomonas vaginalis conserved hypothetical protein 0.0038 0.0149 0.042
Loa Loa (eye worm) hypothetical protein 0.0052 0.0226 0.0226
Echinococcus multilocularis L aminoadipate semialdehyde 0.1785 1 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0246 0.0246
Echinococcus granulosus voltage gated sodium channel Nav1 alpha subunit 0.0044 0.0185 0.0185
Mycobacterium ulcerans glutaminase 0.0297 0.1611 0.5694
Loa Loa (eye worm) hypothetical protein 0.0022 0.0058 0.0058
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0113 0.03
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0031 0.0031
Loa Loa (eye worm) transcription factor SMAD2 0.013 0.0667 0.0667
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0031 0.0025
Trypanosoma cruzi transcription factor btf3, putative 0.0038 0.0149 0.0996
Onchocerca volvulus 0.1785 1 1
Brugia malayi hypothetical protein 0.0072 0.0339 0.0339
Plasmodium vivax SET domain protein, putative 0.0033 0.0121 0.0426
Mycobacterium ulcerans (3R)-hydroxyacyl-ACP dehydratase subunit HadC 0.0032 0.0113 0.0105
Brugia malayi steroid hormone receptor 0.0022 0.0058 0.0058
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0033 0.0121 0.0121
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0031 0.0111 0.0111
Schistosoma mansoni voltage-gated cation channel 0.0105 0.0524 0.0524
Echinococcus multilocularis citrate lyase subunit beta protein 0.0027 0.0085 0.0085
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0022 0.0058 0.0058
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0113 0.0113
Echinococcus multilocularis amyloid beta A4 protein 0.0075 0.0356 0.0356
Loa Loa (eye worm) ICD-1 protein 0.0038 0.0149 0.0149
Brugia malayi Pre-SET motif family protein 0.0227 0.1215 0.1215
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0502 0.2765 0.5
Onchocerca volvulus 0.0035 0.013 0.0072
Brugia malayi PHD-finger family protein 0.0029 0.0097 0.0097
Schistosoma mansoni cpg binding protein 0.0035 0.0132 0.0132
Schistosoma mansoni hypothetical protein 0.0017 0.0028 0.0028
Loa Loa (eye worm) hypothetical protein 0.0081 0.0388 0.0388
Brugia malayi glutaminase DH11.1 0.0297 0.1611 0.1611
Loa Loa (eye worm) calcium channel 0.0105 0.0524 0.0524
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0031 0.0031
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0155 0.0155
Brugia malayi Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog 0.0105 0.0524 0.0524
Echinococcus granulosus voltage dependent L type calcium channel subunit|voltage dependent calcium channel 0.0105 0.0524 0.0524
Toxoplasma gondii histone lysine methyltransferase SET1 0.0063 0.0289 0.0944
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0014 0.0014 0.0014
Loa Loa (eye worm) hypothetical protein 0.0048 0.0206 0.0206
Plasmodium vivax basic transcription factor 3b, putative 0.0038 0.0149 0.0526
Loa Loa (eye worm) steroid hormone receptor 0.0022 0.0058 0.0058
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0022 0.0058 0.0058
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0022 0.0058 0.0058
Echinococcus multilocularis GPCR, family 2 0.0017 0.0031 0.0031
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0022 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0037 0.0144 0.0144
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0085 0.0466
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0246 0.0246
Loa Loa (eye worm) hypothetical protein 0.0022 0.0058 0.0058
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0022 0.0058 0.0058
Mycobacterium ulcerans hypothetical protein 0.0032 0.0113 0.0105
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0022 0.0058 0.0058
Mycobacterium tuberculosis Conserved protein 0.0032 0.0113 0.0298
Schistosoma mansoni high voltage-activated calcium channel Cav1 0.0105 0.0524 0.0524
Loa Loa (eye worm) hypothetical protein 0.0054 0.0241 0.0241
Schistosoma mansoni retinoic acid receptor RXR 0.0022 0.0058 0.0058
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0022 0.0058 0.0058
Schistosoma mansoni jumonji/arid domain-containing protein 0.0042 0.0173 0.0173
Brugia malayi beta-NAC-like protein 0.0038 0.0149 0.0149
Echinococcus granulosus lysine specific demethylase 5A 0.0042 0.0173 0.0173
Schistosoma mansoni cpg binding protein 0.0031 0.0111 0.0111
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0041 0.0164 0.0164
Mycobacterium ulcerans hypothetical protein 0.0032 0.0112 0.0103
Echinococcus granulosus cpg binding protein 0.0035 0.0132 0.0132
Echinococcus granulosus ecdysone induced protein 78C 0.0022 0.0058 0.0058
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0052 0.0226 0.0226
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0502 0.2765 0.5
Trypanosoma cruzi transcription factor btf3, putative 0.0038 0.0149 0.0996
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0067 0.0311 0.0311
Loa Loa (eye worm) hypothetical protein 0.0022 0.0058 0.0058
Loa Loa (eye worm) hypothetical protein 0.0022 0.0058 0.0058
Trichomonas vaginalis glutaminase, putative 0.0297 0.1611 1
Mycobacterium tuberculosis (3R)-hydroxyacyl-ACP dehydratase subunit HadC 0.0032 0.0113 0.0298
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0155 0.0155
Schistosoma mansoni amyloid beta A4 protein related 0.0075 0.0356 0.0356
Brugia malayi photoreceptor-specific nuclear receptor 0.0279 0.1506 0.1506
Echinococcus multilocularis voltage dependent calcium channel 0.0105 0.0524 0.0524
Echinococcus multilocularis voltage dependent L type calcium channel subunit 0.0105 0.0524 0.0524
Echinococcus multilocularis transcription factor btf3 0.0038 0.0149 0.0149

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.6535 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 5.6234 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) 22.3872 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23

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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