Detailed information for compound 1457986

Basic information

Technical information
  • TDR Targets ID: 1457986
  • Name: 1-(4-phenylpiperazin-1-yl)-2-[(3-pyridin-2-yl -[1,2,4]triazolo[3,4-f]pyridazin-6-yl)sulfany l]ethanone
  • MW: 431.513 | Formula: C22H21N7OS
  • H donors: 0 H acceptors: 5 LogP: 2.33 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccccc1)CSc1ccc2n(n1)c(nn2)c1ccccn1
  • InChi: 1S/C22H21N7OS/c30-21(28-14-12-27(13-15-28)17-6-2-1-3-7-17)16-31-20-10-9-19-24-25-22(29(19)26-20)18-8-4-5-11-23-18/h1-11H,12-16H2
  • InChiKey: HSEDDFBNRBEBND-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 1-(4-phenylpiperazin-1-yl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ethanone
  • 1-(4-phenyl-1-piperazinyl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]ethanone
  • 1-(4-phenylpiperazin-1-yl)-2-[[3-(2-pyridyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]thio]ethanone
  • MLS000103826
  • SMR000018918

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens bromodomain adjacent to zinc finger domain, 2B Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum expressed protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus jumonji domain containing protein 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 ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
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 exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Brugia malayi Bromodomain containing protein Get druggable targets OG5_131570 All targets in OG5_131570
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
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_131570 All targets in OG5_131570
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis bromodomain adjacent to zinc finger domain Get druggable targets OG5_131570 All targets in OG5_131570
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K01549 ATP synthase [EC3.6.3.14], putative Get druggable targets OG5_131570 All targets in OG5_131570
Loa Loa (eye worm) 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Conserved hypothetical protein Get druggable targets OG5_131570 All targets in OG5_131570
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Cleft lip and palate transmembrane protein 1-like protein, putative Get druggable targets OG5_131570 All targets in OG5_131570
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0142 0.1087
Loa Loa (eye worm) hypothetical protein 0.0071 0.086 0.1037
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0199 0.0227
Brugia malayi glutaminase DH11.1 0.0558 0.8169 1
Brugia malayi Bromodomain containing protein 0.0092 0.1185 0.1436
Loa Loa (eye worm) hypothetical protein 0.0071 0.086 0.1037
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.086 0.1037
Leishmania major hypothetical protein, conserved 0.0018 0.0078 0.0298
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0119 0.0088
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.086 0.1118
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0119 0.0088
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.086 0.0831
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0017 0.0054 0.0049
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0531 0.0633
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2684
Giardia lamblia PHD finger protein 15 0.0035 0.0329 0.912
Mycobacterium leprae conserved hypothetical protein 0.0071 0.086 0.5
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0119 0.0089
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0036 0.0347 0.0317
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0049
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.086 1
Brugia malayi Bromodomain containing protein 0.0038 0.0372 0.0439
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0329 0.3414
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0237 0.0207
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0119 0.0089
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Onchocerca volvulus 0.0071 0.086 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0347 0.3638
Schistosoma mansoni hypothetical protein 0.0167 0.2305 0.2281
Schistosoma mansoni hypothetical protein 0.0025 0.0175 0.0144
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.086 0.0895
Loa Loa (eye worm) hypothetical protein 0.0015 0.0032 0.0021
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0043 0.0452 0.0423
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.1532 0.1505
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0142 0.0156
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0347 0.0361
Plasmodium vivax vivapain-2 0.0017 0.0054 0.0629
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0892 0.1076
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0347 0.3638
Echinococcus multilocularis lamin dm0 0.0027 0.0199 0.0169
Loa Loa (eye worm) TAR-binding protein 0.0194 0.2708 0.3303
Loa Loa (eye worm) glutaminase 2 0.0558 0.8169 1
Plasmodium vivax hypothetical protein, conserved 0.0071 0.086 1
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0054 0.0022
Mycobacterium ulcerans beta-lactamase 0.0071 0.086 0.0895
Echinococcus multilocularis cysteine protease 0.0017 0.0054 0.0023
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0329 0.0299
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0199 0.0227
Loa Loa (eye worm) hypothetical protein 0.0046 0.0496 0.0591
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Echinococcus granulosus cpg binding protein 0.0033 0.0295 0.0265
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.031 0.4458 0.5449
Schistosoma mansoni ap endonuclease 0.0023 0.0142 0.011
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0347 0.0318
Echinococcus multilocularis musashi 0.0027 0.0199 0.0169
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0019 0.0081 0.005
Schistosoma mansoni bromodomain containing protein 0.0078 0.0973 0.0944
Loa Loa (eye worm) hypothetical protein 0.006 0.0707 0.0849
Schistosoma mansoni lamin 0.0027 0.0199 0.0168
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.086 0.0993
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2684
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0017 0.0054 0.1643
Schistosoma mansoni hypothetical protein 0.0035 0.0329 0.0298
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.086 0.1118
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0451 0.6568 1
Schistosoma mansoni cpg binding protein 0.0033 0.0295 0.0264
Echinococcus multilocularis lamin 0.0027 0.0199 0.0169
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.086 0.1037
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0036 0.0347 0.0408
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0142 0.4303
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.086 0.1118
Schistosoma mansoni hypothetical protein 0.0167 0.2305 0.2281
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0329 0.0298
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Brugia malayi PHD-finger family protein 0.0032 0.0277 0.0322
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.011 0.0079
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2684
Schistosoma mansoni cpg binding protein 0.0033 0.0295 0.0264
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0175 0.0197
Schistosoma mansoni zinc finger protein 0.0018 0.0078 0.0047
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.086 0.0832
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0049
Mycobacterium leprae Probable lipase LipE 0.0071 0.086 0.5
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.05 0.047
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0329 0.3828
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0032 0.0021
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.011 0.0079
Leishmania major cathepsin L-like protease 0.0064 0.0766 0.8832
Loa Loa (eye worm) hypothetical protein 0.0017 0.0054 0.0049
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0142 0.5
Echinococcus granulosus lamin 0.0027 0.0199 0.0169
Echinococcus granulosus importin subunit beta 1 0.0029 0.0237 0.0207
Loa Loa (eye worm) RNA binding protein 0.0194 0.2708 0.3303
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0049
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2684
Onchocerca volvulus 0.0048 0.0525 0.5841
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0667 0.7603
Leishmania major cathepsin L-like protease 0.0064 0.0766 0.8832
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0142 0.0156
Echinococcus multilocularis tar DNA binding protein 0.0194 0.2708 0.2685
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0142 0.0111
Brugia malayi Importin beta-1 subunit 0.0029 0.0237 0.0273
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0722 0.0693
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.011 0.0078
Schistosoma mansoni microtubule-associated protein tau 0.0679 1 1
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0049
Brugia malayi F/Y-rich N-terminus family protein 0.0023 0.0141 0.0155
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0043 0.0452 0.0423
Echinococcus granulosus cathepsin l cysteine peptidase 0.0017 0.0054 0.0023
Schistosoma mansoni jumonji/arid domain-containing protein 0.0047 0.05 0.047
Leishmania major cathepsin L-like protease 0.0064 0.0766 0.8832
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0237 0.227
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.086 0.0831
Echinococcus granulosus fetal alzheimer antigen falz 0.0029 0.0234 0.0204
Schistosoma mansoni zinc finger protein 0.0025 0.018 0.0149
Loa Loa (eye worm) glutaminase 0.0558 0.8169 1
Mycobacterium tuberculosis Conserved protein 0.0071 0.086 0.1118
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.044 0.0411
Schistosoma mansoni importin beta-1 0.0029 0.0237 0.0206
Plasmodium falciparum importin beta, putative 0.0029 0.0237 0.7199
Echinococcus granulosus tumor protein p63 0.033 0.4748 0.4732
Echinococcus granulosus tar DNA binding protein 0.0194 0.2708 0.2685
Echinococcus granulosus dnaJ subfamily B 0.0412 0.5989 0.5977
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0347 0.0318
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.086 0.0993
Plasmodium vivax importin-beta 2, putative 0.0029 0.0237 0.2756
Brugia malayi RNA recognition motif domain containing protein 0.0194 0.2708 0.3303
Entamoeba histolytica hypothetical protein 0.0024 0.0155 0.3424
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0036 0.0347 0.0361
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0036 0.0347 0.3638
Echinococcus granulosus ubiquitin specific protease 41 0.0036 0.0347 0.0318
Schistosoma mansoni hypothetical protein 0.0018 0.0078 0.0047
Loa Loa (eye worm) cysteine protease 0.0017 0.0054 0.0049
Brugia malayi beta-lactamase family protein 0.0071 0.086 0.1037
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0766 0.8832
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.086 0.0895
Loa Loa (eye worm) hypothetical protein 0.0048 0.0525 0.0626
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0559 0.6269
Echinococcus granulosus GPCR family 2 0.0015 0.0032 0.0001
Brugia malayi RNA binding protein 0.0194 0.2708 0.3303
Loa Loa (eye worm) beta-lactamase 0.0071 0.086 0.1037
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.086 0.1118
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0054 0.0023
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.086 0.1118
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0536 0.0507
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0054 0.0049
Echinococcus granulosus cathepsin l1 0.0017 0.0054 0.0023
Mycobacterium tuberculosis Conserved protein 0.0071 0.086 0.1118
Echinococcus multilocularis zinc finger protein 0.0025 0.018 0.015
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0766 0.8832
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0142 0.0111
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1965 0.2392
Echinococcus multilocularis geminin 0.0167 0.2305 0.2281
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0531 0.0633
Trichomonas vaginalis glutaminase, putative 0.0558 0.8169 1
Onchocerca volvulus Alhambra homolog 0.0035 0.0329 0.3414
Schistosoma mansoni cellular tumor antigen P53 0.0048 0.0525 0.0495
Brugia malayi beta-lactamase family protein 0.0071 0.086 0.1037
Brugia malayi PHD-finger family protein 0.0035 0.0329 0.0386
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0329 0.0386
Brugia malayi beta-lactamase 0.0071 0.086 0.1037
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.03 0.035
Plasmodium falciparum phd finger protein, putative 0.0035 0.0329 1
Loa Loa (eye worm) hypothetical protein 0.0033 0.03 0.035
Echinococcus granulosus cathepsin L cysteine proteinase 0.0017 0.0054 0.0023
Loa Loa (eye worm) hypothetical protein 0.0029 0.0237 0.0273
Schistosoma mansoni hypothetical protein 0.0412 0.5989 0.5976
Brugia malayi RNA, U transporter 1 0.0083 0.1041 0.1259
Schistosoma mansoni cathepsin F (C01 family) 0.0017 0.0054 0.0022
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0017 0.0054 0.1643
Trypanosoma cruzi importin beta-1 subunit, putative 0.0024 0.0155 0.1246
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0142 0.0108
Trichomonas vaginalis esterase, putative 0.0071 0.086 0.0993
Loa Loa (eye worm) hypothetical protein 0.0085 0.1083 0.131
Trichomonas vaginalis importin beta-1, putative 0.0024 0.0155 0.0124
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.086 0.1118
Echinococcus granulosus peregrin 0.0038 0.0372 0.0342
Plasmodium vivax vivapain-2 0.0017 0.0054 0.0629
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0237 0.2033
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0017 0.0054 0.0023
Schistosoma mansoni hypothetical protein 0.0033 0.03 0.0269
Loa Loa (eye worm) hypothetical protein 0.0027 0.0199 0.0227
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0036 0.0347 0.0318
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0036 0.0347 1
Mycobacterium ulcerans lipase LipD 0.0071 0.086 0.0895
Mycobacterium ulcerans glutaminase 0.0558 0.8169 1
Onchocerca volvulus 0.0071 0.086 1
Loa Loa (eye worm) fibroinase 0.0017 0.0054 0.0049
Loa Loa (eye worm) hypothetical protein 0.0021 0.0119 0.0129
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0766 0.8832
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Loa Loa (eye worm) hypothetical protein 0.0026 0.0192 0.0218
Brugia malayi Bromodomain containing protein 0.0046 0.0495 0.0589
Schistosoma mansoni intermediate filament proteins 0.0027 0.0199 0.0168
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0531 0.0633
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.086 0.0993
Loa Loa (eye worm) hypothetical protein 0.0035 0.0329 0.0386
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.086 0.0832
Mycobacterium tuberculosis Conserved protein 0.0071 0.086 0.1118
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0017 0.0054 0.0049
Loa Loa (eye worm) hypothetical protein 0.0049 0.0531 0.0633
Mycobacterium ulcerans hypothetical protein 0.0071 0.086 0.0895
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0199 0.0227
Echinococcus granulosus zinc finger protein 0.0025 0.018 0.015
Echinococcus multilocularis microtubule associated protein 2 0.0679 1 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.086 0.1037
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.086 0.1118
Loa Loa (eye worm) hypothetical protein 0.0015 0.0033 0.0023
Echinococcus multilocularis snurportin 1 0.031 0.4458 0.4441
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0142 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0237 0.2033
Echinococcus multilocularis peregrin 0.0038 0.0372 0.0342
Onchocerca volvulus 0.0027 0.0199 0.1802
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0074 0.0908 0.088
Toxoplasma gondii ABC1 family protein 0.0071 0.086 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0032 0.0001
Brugia malayi intermediate filament protein 0.0027 0.0199 0.0227
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0121 0.0131
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0054 0.0023
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0036 0.0347 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0155 0.0124
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0194 0.2708 0.3303
Schistosoma mansoni ap endonuclease 0.0023 0.0142 0.011
Echinococcus multilocularis GPCR, family 2 0.0015 0.0032 0.0001
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0032 0.0021
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.086 1
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1965 0.2392
Echinococcus multilocularis tumor protein p63 0.033 0.4748 0.4732
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0235 0.0271
Echinococcus granulosus lysine specific demethylase 5A 0.0047 0.05 0.0471
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Brugia malayi TAR-binding protein 0.0194 0.2708 0.3303
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0049
Loa Loa (eye worm) hypothetical protein 0.0053 0.0599 0.0716
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0032 0.0001
Echinococcus multilocularis cathepsin L cysteine protease 0.0017 0.0054 0.0023
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0766 0.8832
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0142 0.0813
Leishmania major hypothetical protein, conserved 0.0071 0.086 1
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.086 1
Loa Loa (eye worm) hypothetical protein 0.0071 0.086 0.1037
Echinococcus granulosus lamin dm0 0.0027 0.0199 0.0169
Loa Loa (eye worm) jmjC domain-containing protein 0.0047 0.05 0.0595
Brugia malayi jmjC domain containing protein 0.0047 0.05 0.0595
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0142 0.0108
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Echinococcus multilocularis ubiquitin specific protease 41 0.0036 0.0347 0.0318
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0029 0.0234 0.0203
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0142 0.1087
Plasmodium falciparum cysteine proteinase falcipain 3 0.0017 0.0054 0.1643
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0036 0.0347 0.3443
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.1532 0.1505
Echinococcus multilocularis cpg binding protein 0.0033 0.0295 0.0265
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0024 0.0155 0.0124
Brugia malayi MH2 domain containing protein 0.0144 0.1965 0.2392
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0142 0.1087
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0032 0.0001
Loa Loa (eye worm) hypothetical protein 0.0049 0.0539 0.0644
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0682 0.7793
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0074 0.0908 0.088
Leishmania major importin beta-1 subunit, putative 0.0024 0.0155 0.1246
Echinococcus granulosus intermediate filament protein 0.0027 0.0199 0.0169
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.086 0.0993
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0142 0.1647
Onchocerca volvulus 0.0071 0.086 1
Brugia malayi PHD-finger family protein 0.0015 0.0033 0.0023
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0036 0.0347 0.0317
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0142 0.2987
Schistosoma mansoni tar DNA-binding protein 0.0194 0.2708 0.2684
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0029 0.0234 0.0204
Echinococcus granulosus geminin 0.0167 0.2305 0.2281
Onchocerca volvulus 0.0029 0.0235 0.2248
Schistosoma mansoni cpg binding protein 0.0029 0.0235 0.0204
Echinococcus multilocularis cysteine protease 0.0017 0.0054 0.0023
Trypanosoma cruzi ISWI complex protein 0.0018 0.0078 0.0298
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0329 0.0299
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.011 0.0078
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0536 0.0507
Loa Loa (eye worm) hypothetical protein 0.0036 0.0347 0.0408
Trypanosoma cruzi ISWI complex protein 0.0018 0.0078 0.0298
Loa Loa (eye worm) hypothetical protein 0.0071 0.086 0.1037
Schistosoma mansoni lamin 0.0027 0.0199 0.0168
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0032 0.0001
Onchocerca volvulus 0.0027 0.0199 0.1802
Schistosoma mansoni hypothetical protein 0.031 0.4458 0.444
Schistosoma mansoni glutaminase 0.0558 0.8169 0.8163
Echinococcus multilocularis dnaJ subfamily B 0.0412 0.5989 0.5977
Brugia malayi CXXC zinc finger family protein 0.0029 0.0235 0.0271
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1176 0.1148
Trichomonas vaginalis conserved hypothetical protein 0.0036 0.0347 0.0361
Loa Loa (eye worm) hypothetical protein 0.0071 0.086 0.1037
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0036 0.0347 0.0318
Toxoplasma gondii exonuclease III APE 0.0023 0.0142 0.1087
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0032 0.0021
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0766 0.8797
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.086 0.0993
Echinococcus granulosus snurportin 1 0.031 0.4458 0.4441
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0329 0.3414
Loa Loa (eye worm) ctsf protein 0.0017 0.0054 0.0049
Brugia malayi Cathepsin L-like precursor 0.0017 0.0054 0.0049
Brugia malayi jmjC domain containing protein 0.0115 0.1532 0.1861

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 4.4668 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.6234 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 6.3096 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 19.9526 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)] ChEMBL. No reference
Potency (functional) 25.929 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 31.6228 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1). (Class of assay: confirmatory) [Related pubchem assays: 594 (Rhodamine region spectral profiling screen), 593 (Fluorescein region spectral profiling screen), 2367 (Probe Development Summary for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1)), 2353 (qHTS Validation Assay for Inhibitors of RecQ-Like Dna Helicase 1 (RECQ1))] ChEMBL. No reference
Potency (functional) 50.1187 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

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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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