Detailed information for compound 1405341

Basic information

Technical information
  • TDR Targets ID: 1405341
  • Name: 5-phenyl-3-(phenylmethyl)-6H-1,3,4-thiadiazin -2-one
  • MW: 282.36 | Formula: C16H14N2OS
  • H donors: 0 H acceptors: 1 LogP: 3.71 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C1SCC(=NN1Cc1ccccc1)c1ccccc1
  • InChi: 1S/C16H14N2OS/c19-16-18(11-13-7-3-1-4-8-13)17-15(12-20-16)14-9-5-2-6-10-14/h1-10H,11-12H2
  • InChiKey: YTGAIQPHODCHSQ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-(benzyl)-5-phenyl-6H-1,3,4-thiadiazin-2-one
  • SMR000225945
  • 3-benzyl-5-phenyl-3,6-dihydro-2H-1,3,4-thiadiazin-2-one
  • MLS000698242

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens runt-related transcription factor 1 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens core-binding factor, beta subunit No references
Homo sapiens lamin A/C Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 multilocularis lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament tail domain-containing protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin dm0 Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
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 granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Get druggable targets OG5_133916 All targets in OG5_133916
Schistosoma japonicum ko:K07611 lamin, putative Get druggable targets OG5_128723 All targets in OG5_128723
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_128723 All targets in OG5_128723
Brugia malayi Intermediate filament tail domain containing protein Get druggable targets OG5_128723 All targets in OG5_128723
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 multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Intermediate filament protein ifa-1, putative Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus lamin Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni lamin Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum expressed protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus multilocularis musashi Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Schistosoma japonicum Lamin-C, putative Get druggable targets OG5_128723 All targets in OG5_128723
Schistosoma mansoni intermediate filament proteins Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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 hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_133916 All targets in OG5_133916
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_128723 All targets in OG5_128723
Echinococcus granulosus cytoplasmic intermediate filament protein Get druggable targets OG5_128723 All targets in OG5_128723
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
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0011 0.0026 0.0538
Toxoplasma gondii cytochrome p450 superfamily protein 0.0021 0.0202 0.4214
Loa Loa (eye worm) hypothetical protein 0.0023 0.0245 0.0245
Brugia malayi latrophilin 2 splice variant baaae 0.0016 0.0116 0.0116
Echinococcus multilocularis Protein lozenge 0.0067 0.1088 0.1564
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0217 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0862 0.1434
Brugia malayi PHD-finger family protein 0.0012 0.0029 0.0029
Loa Loa (eye worm) cytochrome P450 family protein 0.0072 0.1175 0.1175
Schistosoma mansoni protein phosphatase 2C 0.0011 0.0026 0.0043
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0217 0.1847
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0375 0.6955 1
Loa Loa (eye worm) cytochrome P450 0.0021 0.0202 0.0202
Leishmania major hypothetical protein, conserved 0.0011 0.0026 0.022
Brugia malayi Cytochrome P450 family protein 0.0072 0.1175 0.1175
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0862 0.1434
Brugia malayi jmjC domain containing protein 0.0043 0.0621 0.0621
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0024 0.0257 0.0257
Leishmania major importin beta-1 subunit, putative 0.0011 0.0019 0.0165
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.0021 0.0202 0.1721
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0021 0.0217 0.0152
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0217 0.1847
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0217 0.1847
Mycobacterium leprae Conserved hypothetical protein 0.0021 0.0202 0.5
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0862 0.0862
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0029 0.0243
Echinococcus multilocularis musashi 0.0033 0.043 0.0618
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0012 0.0029 0.0243
Plasmodium vivax JmjC domain containing protein 0.0011 0.0026 0.0538
Trypanosoma brucei cytochrome P450, putative 0.0072 0.1175 1
Schistosoma mansoni ap endonuclease 0.0021 0.0217 0.0361
Trypanosoma cruzi major cysteine proteinase, putative 0.0021 0.0212 0.1802
Echinococcus multilocularis 0.0021 0.0202 0.0291
Brugia malayi jmjC domain containing protein 0.0011 0.0026 0.0026
Plasmodium falciparum phd finger protein, putative 0.0035 0.048 1
Echinococcus multilocularis peregrin 0.0035 0.048 0.069
Echinococcus granulosus lamin dm0 0.0033 0.043 0.0715
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0217 0.0217
Schistosoma mansoni phosphatidylserine receptor 0.0011 0.0026 0.0043
Schistosoma mansoni importin beta-1 0.0014 0.0068 0.0114
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0021 0.0202 0.1721
Toxoplasma gondii exonuclease III APE 0.0021 0.0217 0.4523
Loa Loa (eye worm) cytochrome P450 family protein 0.0021 0.0202 0.0202
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.048 1
Echinococcus multilocularis lamin 0.0033 0.043 0.0618
Onchocerca volvulus Alhambra homolog 0.0035 0.048 0.0241
Brugia malayi Intermediate filament tail domain containing protein 0.0033 0.043 0.043
Schistosoma mansoni lozenge 0.0067 0.1088 0.181
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0217 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0217 0.4523
Brugia malayi Cytochrome P450 family protein 0.0021 0.0202 0.0202
Mycobacterium leprae putative cytochrome p450 0.0021 0.0202 0.5
Echinococcus granulosus tumor protein p63 0.0156 0.2787 0.4637
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0862 0.1434
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1194 0.1194
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0862 0.1434
Loa Loa (eye worm) hypothetical protein 0.0015 0.0097 0.0097
Loa Loa (eye worm) hypothetical protein 0.0051 0.0782 0.0782
Brugia malayi cytochrome P450 0.0021 0.0202 0.0202
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0011 0.0026 0.0043
Brugia malayi MH2 domain containing protein 0.0143 0.2539 0.2539
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0011 0.0026 0.022
Schistosoma mansoni cellular tumor antigen P53 0.0023 0.0245 0.0408
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0026 0.0026
Loa Loa (eye worm) hypothetical protein 0.0033 0.043 0.043
Echinococcus granulosus phd:f box containing protein 0.0011 0.0026 0.0043
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0321 0.2735
Loa Loa (eye worm) hypothetical protein 0.0024 0.0257 0.0257
Loa Loa (eye worm) hypothetical protein 0.0035 0.048 0.048
Loa Loa (eye worm) hypothetical protein 0.0016 0.0109 0.0109
Schistosoma mansoni intermediate filament proteins 0.0033 0.043 0.0715
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0012 0.0029 0.0595
Plasmodium vivax importin-beta 2, putative 0.0014 0.0068 0.1425
Schistosoma mansoni lamin 0.0033 0.043 0.0715
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0217 0.5
Schistosoma mansoni microtubule-associated protein tau 0.0325 0.601 1
Schistosoma mansoni hypothetical protein 0.0012 0.0029 0.0048
Echinococcus multilocularis phd:f box containing protein 0.0011 0.0026 0.0037
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0862 0.1239
Echinococcus multilocularis importin subunit beta 1 0.0014 0.0068 0.0098
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0012 0.0029 0.0595
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.2006 0.3338
Echinococcus granulosus importin subunit beta 1 0.0014 0.0068 0.0114
Loa Loa (eye worm) hypothetical protein 0.0012 0.0029 0.0029
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.2006 0.2884
Leishmania major cytochrome p450-like protein 0.0021 0.0202 0.1721
Echinococcus granulosus JmjC domain containing protein 4 0.0011 0.0026 0.0043
Onchocerca volvulus 0.0033 0.043 0.0189
Echinococcus multilocularis tumor protein p63 0.0156 0.2787 0.4007
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0021 0.0217 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0011 0.0026 0.0037
Brugia malayi RNA, U transporter 1 0.0039 0.0546 0.0546
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0011 0.0026 0.022
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0026
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.048 0.0799
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0016 0.0109 0.0156
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0072 0.1175 1
Trypanosoma cruzi cytochrome P450, putative 0.0072 0.1175 1
Schistosoma mansoni jumonji domain containing protein 0.0011 0.0026 0.0043
Loa Loa (eye worm) hypothetical protein 0.0015 0.0097 0.0097
Brugia malayi Calcitonin receptor-like protein seb-1 0.0024 0.0257 0.0257
Echinococcus granulosus lamin 0.0033 0.043 0.0715
Schistosoma mansoni phd/f-box containing protein 0.0011 0.0026 0.0043
Loa Loa (eye worm) cytochrome P450 family protein 0.0072 0.1175 0.1175
Loa Loa (eye worm) MH2 domain-containing protein 0.0143 0.2539 0.2539
Brugia malayi Importin beta-1 subunit 0.0014 0.0068 0.0068
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0021 0.0202 0.1721
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0011 0.0026 0.022
Echinococcus multilocularis lysine specific demethylase 6a 0.0011 0.0026 0.0037
Loa Loa (eye worm) hypothetical protein 0.006 0.0959 0.0959
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0217 1
Trypanosoma cruzi cruzipain precursor, putative 0.0027 0.0321 0.2735
Toxoplasma gondii HEAT repeat-containing protein 0.0014 0.0068 0.1425
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0217 0.5
Plasmodium falciparum importin beta, putative 0.0014 0.0068 0.1425
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.048 0.069
Leishmania major cathepsin L-like protease 0.0027 0.0321 0.2735
Plasmodium vivax hypothetical protein, conserved 0.0012 0.0029 0.0595
Toxoplasma gondii PHD-finger domain-containing protein 0.0012 0.0029 0.0595
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0021 0.0202 0.1721
Echinococcus granulosus lysine specific demethylase 6a 0.0011 0.0026 0.0043
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0025 0.0277 0.2357
Leishmania major cytochrome p450-like protein 0.0021 0.0202 0.1721
Schistosoma mansoni cytochrome P450 0.0021 0.0202 0.0337
Loa Loa (eye worm) intermediate filament protein 0.0033 0.043 0.043
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Loa Loa (eye worm) hypothetical protein 0.0011 0.0026 0.0026
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0142 0.0142
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Brugia malayi jmjC domain containing protein 0.0011 0.0026 0.0026
Brugia malayi Bromodomain containing protein 0.0035 0.048 0.048
Brugia malayi PHD-finger family protein 0.0035 0.048 0.048
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0012 0.0029 0.0048
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0217 0.0217
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0862 0.1239
Schistosoma mansoni hypothetical protein 0.0021 0.0202 0.0337
Echinococcus multilocularis lamin dm0 0.0033 0.043 0.0618
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0862 0.1434
Echinococcus granulosus jumonji domain containing 1A 0.0011 0.0026 0.0043
Schistosoma mansoni hypothetical protein 0.0145 0.2575 0.4285
Echinococcus multilocularis microtubule associated protein 2 0.0325 0.601 0.8641
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0621 0.1034
Leishmania major cathepsin L-like protease 0.0027 0.0321 0.2735
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Schistosoma mansoni lamin 0.0033 0.043 0.0715
Loa Loa (eye worm) hypothetical protein 0.0032 0.0418 0.0418
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0743 0.1068
Schistosoma mansoni hypothetical protein 0.0035 0.048 0.0799
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0743 0.1236
Giardia lamblia PHD finger protein 15 0.0035 0.048 1
Brugia malayi AF-10 protein 0.0012 0.0029 0.0029
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0217 0.4523
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0011 0.0026 0.0037
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0321 0.2735
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0145 0.2575 0.2575
Brugia malayi Cytochrome P450 family protein 0.0021 0.0202 0.0202
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0142 0.0142
Schistosoma mansoni hypothetical protein 0.0016 0.0116 0.0192
Loa Loa (eye worm) runx1 0.0067 0.1088 0.1088
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0026 0.0026
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0621 0.1034
Loa Loa (eye worm) hypothetical protein 0.0016 0.0116 0.0116
Plasmodium falciparum JmjC domain-containing protein, putative 0.0011 0.0026 0.0538
Echinococcus granulosus peregrin 0.0035 0.048 0.0799
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0011 0.0026 0.0538
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0621 0.0893
Echinococcus granulosus cytochrome P450 2K1 0.0021 0.0202 0.0337
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0011 0.0019 0.0894
Trypanosoma brucei importin beta-1 subunit, putative 0.0014 0.0068 0.0582
Brugia malayi Cytochrome P450 family protein 0.0072 0.1175 0.1175
Leishmania major cytochrome p450-like protein 0.0072 0.1175 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0862 0.0862
Plasmodium vivax hypothetical protein, conserved 0.0035 0.048 1
Echinococcus granulosus intermediate filament protein 0.0033 0.043 0.0715
Brugia malayi jmjC domain containing protein 0.0011 0.0026 0.0026
Loa Loa (eye worm) jmjC domain-containing protein 0.0011 0.0026 0.0026
Onchocerca volvulus 0.0033 0.043 0.0189
Echinococcus granulosus snurportin 1 0.0145 0.2575 0.4285
Loa Loa (eye worm) CYP4Cod1 0.0072 0.1175 0.1175
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0217 0.4523
Brugia malayi intermediate filament protein 0.0033 0.043 0.043
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0024 0.0257 0.0257
Loa Loa (eye worm) transcription factor SMAD2 0.0143 0.2539 0.2539
Echinococcus multilocularis jumonji domain containing 1A 0.0011 0.0026 0.0037
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0217 0.0361
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0016 0.0109 0.0181
Echinococcus granulosus microtubule associated protein 2 0.0325 0.601 1
Brugia malayi jmjC domain containing protein 0.0011 0.0026 0.0026
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.048 0.048
Trichomonas vaginalis importin beta-1, putative 0.0011 0.0019 0.0894
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0621 0.1034
Entamoeba histolytica hypothetical protein 0.0011 0.0019 0.0894
Trypanosoma cruzi cysteine peptidase, putative 0.0027 0.0321 0.2735
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0217 0.1847
Loa Loa (eye worm) hypothetical protein 0.0014 0.0068 0.0068
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.048 1
Trypanosoma cruzi cytochrome P450, putative 0.0072 0.1175 1
Echinococcus multilocularis snurportin 1 0.0145 0.2575 0.3702
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0011 0.0019 0.0894
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1555 0.2587
Trypanosoma brucei importin beta-1 subunit, putative 0.0014 0.0068 0.0582
Leishmania major cathepsin L-like protease 0.0027 0.0321 0.2735
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0033 0.043 0.043
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0621 0.0621
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0021 0.0202 0.1721
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.048 0.0799
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0011 0.0026 0.0043
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0217 0.0312
Trypanosoma cruzi importin beta-1 subunit, putative 0.0011 0.0019 0.0165
Brugia malayi jmjC domain containing protein 0.0115 0.2006 0.2006
Brugia malayi F/Y-rich N-terminus family protein 0.0012 0.0029 0.0029
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0027 0.0321 0.2735
Schistosoma mansoni ap endonuclease 0.0021 0.0217 0.0361

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) > 195 um PUBCHEM_BIOASSAY: Luminescence Cell-Based Dose Confirmation HTS to Identify Inhibitors of Heat Shock Factor 1 (HSF1). (Class of assay: confirmatory) [Related pubchem assays: 2118 (Project Summary), 2098 (Primary HTS)] ChEMBL. No reference
Potency (functional) 5.0119 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 (functional) 7.9433 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 8.2753 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 (binding) 17.7828 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (binding) = 79.4328 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] 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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