Detailed information for compound 1257084

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 420.499 | Formula: C22H32N2O6
  • H donors: 2 H acceptors: 3 LogP: 4.6 Rotable bonds: 16
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCOc1ccc(cc1OCC)/C=C/C(=O)OCC(=O)NC(=O)NCC(C)C
  • InChi: 1S/C22H32N2O6/c1-5-7-12-29-18-10-8-17(13-19(18)28-6-2)9-11-21(26)30-15-20(25)24-22(27)23-14-16(3)4/h8-11,13,16H,5-7,12,14-15H2,1-4H3,(H2,23,24,25,27)/b11-9+
  • InChiKey: UZOLORVQKNMBFB-PKNBQFBNSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens K(lysine) acetyltransferase 2A Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Trypanosoma brucei hypothetical protein, conserved Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Equus caballus Ferritin light chain Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Toxoplasma gondii exonuclease III APE 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
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma congolense apurinic/apyrimidinic 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 infantum hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum Bromodomain containing protein, related Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania braziliensis hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Candida albicans bromodomain protein similar to S. cerevisiae GCN5 (YGR252W) histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Trichomonas vaginalis bromodomain-containing protein, putative Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum ko:K06062 p300/CBP-associated factor, putative Get druggable targets OG5_127781 All targets in OG5_127781
Plasmodium yoelii putative AP endonuclease-related 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
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni ap endonuclease 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
Trypanosoma cruzi hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii histone lysine acetyltransferase GCN5-A Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva histone acetyltransferase Gcn5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium falciparum histone acetyltransferase GCN5 Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative Get druggable targets OG5_127781 All targets in OG5_127781
Toxoplasma gondii histone lysine acetyltransferase GCN5-B Get druggable targets OG5_127781 All targets in OG5_127781
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Cryptosporidium parvum GCN5 like acetylase + bromodomain Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica acetyltransferase, GNAT family Get druggable targets OG5_127781 All targets in OG5_127781
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani HpcH/HpaI aldolase/citrate lyase family, putative Get druggable targets OG5_146801 All targets in OG5_146801
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Leishmania major hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Echinococcus granulosus histone acetyltransferase KAT2B Get druggable targets OG5_127781 All targets in OG5_127781
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Cryptosporidium hominis histone acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Loa Loa (eye worm) acetyltransferase Get druggable targets OG5_127781 All targets in OG5_127781
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi acetyltransferase, GNAT family protein Get druggable targets OG5_127781 All targets in OG5_127781
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi histone acetyltransferase GCN5, putative Get druggable targets OG5_127781 All targets in OG5_127781
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
Plasmodium yoelii histone acetyltransferase GCN5-related Get druggable targets OG5_127781 All targets in OG5_127781
Leishmania mexicana hypothetical protein, conserved Get druggable targets OG5_146801 All targets in OG5_146801
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 146 aa 28.8 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Echinococcus multilocularis expressed protein Ferritin light chain   175 aa 146 aa 30.1 %
Schistosoma japonicum Ferritin, putative Ferritin light chain   175 aa 144 aa 24.3 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 44.4 %
Schistosoma mansoni ferritin Ferritin light chain   175 aa 171 aa 43.9 %
Schistosoma mansoni apoferritin-2 Ferritin light chain   175 aa 142 aa 29.6 %
Echinococcus granulosus expressed protein Ferritin light chain   175 aa 146 aa 28.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.0517 0.9332
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0059 0.1176 0.1908
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0791 0.0758
Mycobacterium ulcerans hypothetical protein 0.0036 0.0517 0.9332
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.0517 0.0629
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0517 0.4472
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0059 0.1176 0.1861
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0791 0.0758
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.5959 1
Loa Loa (eye worm) hypothetical protein 0.0059 0.1176 0.1861
Trypanosoma brucei hypothetical protein, conserved 0.0257 0.68 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0517 0.0786
Echinococcus granulosus histone acetyltransferase KAT2B 0.0051 0.0969 0.0936
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.0517 0.0786
Loa Loa (eye worm) hypothetical protein 0.0235 0.6164 1
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.027 0.1445
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.027 0.1445
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.0517 0.0629
Brugia malayi TAR-binding protein 0.0136 0.3363 0.5455
Echinococcus multilocularis citrate lyase subunit beta protein 0.003 0.0347 0.0313
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.003 0.0347 0.0336
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0347 0.0294
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0544 0.4792
Trichomonas vaginalis esterase, putative 0.0036 0.0517 0.4472
Toxoplasma gondii ABC1 family protein 0.0036 0.0517 0.4472
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.0517 0.4472
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0791 0.143
Loa Loa (eye worm) hypothetical protein 0.0036 0.0517 0.0786
Mycobacterium tuberculosis Conserved protein 0.0036 0.0517 0.0629
Schistosoma mansoni ap endonuclease 0.0023 0.0152 0.0221
Mycobacterium ulcerans lipase LipD 0.0036 0.0517 0.9332
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3363 0.6301
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0544 0.051
Echinococcus granulosus tar DNA binding protein 0.0136 0.3363 0.3339
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.003 0.0347 0.4987
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0544 0.4792
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0051 0.0969 1
Onchocerca volvulus 0.0048 0.0865 0.6616
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.027 0.1699
Loa Loa (eye worm) inositol-1 0.0036 0.0544 0.0829
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.0517 0.0484
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.4169 0.4149
Brugia malayi hypothetical protein 0.0235 0.6164 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0048 0.0865 0.1404
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0051 0.0969 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.0517 0.0786
Trichomonas vaginalis Citrate lyase beta chain, putative 0.003 0.0347 0.239
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0152 0.0247
Leishmania major hypothetical protein, conserved 0.0257 0.68 1
Schistosoma mansoni survival motor neuron protein 0.0048 0.0865 0.1572
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0175 0.4476 0.8409
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0517 0.0549
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0347 0.0294
Schistosoma mansoni cellular tumor antigen P53 0.0054 0.1043 0.1909
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0791 0.1282
Mycobacterium ulcerans hypothetical protein 0.003 0.0347 0.4987
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0347 0.4987
Loa Loa (eye worm) hypothetical protein 0.0036 0.0517 0.0786
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0517 0.4472
Brugia malayi acetyltransferase, GNAT family protein 0.0175 0.4476 0.7261
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0152 0.0191
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.36 0.5816
Schistosoma mansoni hypothetical protein 0.0152 0.3823 0.7172
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0152 0.0117
Onchocerca volvulus 0.0054 0.1043 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0544 0.0589
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.027 0.0178
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0051 0.0969 1
Echinococcus multilocularis geminin 0.0205 0.5316 0.5299
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0517 0.0913
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.027 0.1699
Schistosoma mansoni thyroid hormone receptor 0.0164 0.4169 0.7828
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0517 0.0549
Mycobacterium tuberculosis Conserved protein 0.0036 0.0517 0.0629
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0544 0.0589
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.0517 0.0629
Echinococcus multilocularis survival motor neuron protein 1 0.0235 0.6164 0.6151
Loa Loa (eye worm) TAR-binding protein 0.0136 0.3363 0.5429
Plasmodium falciparum histone acetyltransferase GCN5 0.0047 0.0847 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0791 0.143
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0544 0.051
Brugia malayi MH2 domain containing protein 0.0144 0.36 0.584
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.0648 0.1051
Loa Loa (eye worm) hypothetical protein 0.0036 0.0517 0.0786
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3363 0.6301
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0544 0.0589
Brugia malayi beta-lactamase family protein 0.0036 0.0517 0.0839
Mycobacterium ulcerans hypothetical protein 0.003 0.0347 0.4987
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.0517 0.0839
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0791 0.0758
Entamoeba histolytica acetyltransferase, GNAT family 0.0047 0.0847 1
Schistosoma mansoni hypothetical protein 0.004 0.0648 0.116
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0033 0.0435 0.0487
Mycobacterium tuberculosis Conserved protein 0.0036 0.0517 0.0629
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.0517 0.0913
Schistosoma mansoni thyroid hormone receptor 0.0164 0.4169 0.7828
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0544 0.0589
Mycobacterium leprae conserved hypothetical protein 0.0036 0.0517 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.0544 0.0962
Leishmania major hypothetical protein, conserved 0.0027 0.027 0.0178
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0136 0.3363 0.5429
Echinococcus multilocularis tar DNA binding protein 0.0136 0.3363 0.3339
Mycobacterium tuberculosis Conserved protein 0.003 0.0347 0.0336
Brugia malayi Inositol-1 0.0036 0.0544 0.0882
Mycobacterium leprae Probable lipase LipE 0.0036 0.0517 1
Loa Loa (eye worm) hypothetical protein 0.0054 0.1043 0.1644
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.0517 0.0629
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.0544 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.017 0.4337 0.4316
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3363 0.6301
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0544 0.5632
Echinococcus multilocularis tumor protein p63 0.037 1 1
Brugia malayi beta-lactamase 0.0036 0.0517 0.0839
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.0517 0.0549
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0152 0.0117
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0544 0.4792
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.36 0.5816
Schistosoma mansoni hypothetical protein 0.0205 0.5316 1
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.3823 0.3801
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.027 0.0178
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.3823 0.3801
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0517 0.4472
Echinococcus granulosus survival motor neuron protein 1 0.0235 0.6164 0.6151
Loa Loa (eye worm) hypothetical protein 0.004 0.0648 0.1
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.003 0.0347 0.4987
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0051 0.0969 1
Trichomonas vaginalis bromodomain-containing protein, putative 0.0051 0.0969 1
Brugia malayi hypothetical protein 0.0027 0.027 0.0438
Echinococcus granulosus geminin 0.0205 0.5316 0.5299
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0036 0.0058
Mycobacterium ulcerans beta-lactamase 0.0036 0.0517 0.9332
Loa Loa (eye worm) beta-lactamase 0.0036 0.0517 0.0786
Leishmania major hypothetical protein, conserved 0.0036 0.0517 0.0549
Brugia malayi RNA binding protein 0.0136 0.3363 0.5455
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0152 0.5
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.003 0.0347 0.0294
Loa Loa (eye worm) hypothetical protein 0.0036 0.0517 0.0786
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0175 0.4476 0.4456
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.68 1
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3363 0.6301
Brugia malayi Calcitonin receptor-like protein seb-1 0.0059 0.1176 0.1908
Schistosoma mansoni hypothetical protein 0.0205 0.5316 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.027 0.0178
Loa Loa (eye worm) RNA binding protein 0.0136 0.3363 0.5429
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.0517 0.0629
Brugia malayi beta-lactamase family protein 0.0036 0.0517 0.0839
Brugia malayi RNA recognition motif domain containing protein 0.0136 0.3363 0.5455
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.0517 0.0629
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0544 0.4792
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.0517 0.4472
Echinococcus granulosus citrate lyase subunit beta protein 0.003 0.0347 0.0313
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.0517 0.0484
Giardia lamblia Histone acetyltransferase GCN5 0.0047 0.0847 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0791 0.0758
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0544 1
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.0517 0.0629
Schistosoma mansoni ap endonuclease 0.0023 0.0152 0.0221
Loa Loa (eye worm) acetyltransferase 0.0175 0.4476 0.7245
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0036 0.0058
Schistosoma mansoni tar DNA-binding protein 0.0136 0.3363 0.6301
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0791 0.143
Loa Loa (eye worm) hypothetical protein 0.0027 0.027 0.0383
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0791 0.1232
Schistosoma mansoni inositol monophosphatase 0.0036 0.0544 0.0962
Trypanosoma cruzi hypothetical protein, conserved 0.0257 0.68 1
Plasmodium vivax hypothetical protein, conserved 0.0036 0.0517 0.4472
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.0517 0.9332
Schistosoma mansoni hypothetical protein 0.0048 0.0865 0.1572

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.4125 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.1623 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of GCN5L2. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504398] ChEMBL. No reference
Potency (functional) = 5.6234 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 6.3096 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) 6.5131 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 7.9433 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 11.2202 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) 17.7828 uM PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 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
Potency (functional) = 39.8107 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) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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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