Detailed information for compound 1254873

Basic information

Technical information
  • TDR Targets ID: 1254873
  • Name: ethyl 5-[10-(5-ethoxy-2,4-dimethyl-5-oxopenta noyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-2, 4-dimethyl-5-oxopentanoate
  • MW: 514.652 | Formula: C26H46N2O8
  • H donors: 0 H acceptors: 4 LogP: 1.95 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCOC(=O)C(CC(C(=O)N1CCOCCN(CCOCC1)C(=O)C(CC(C(=O)OCC)C)C)C)C
  • InChi: 1S/C26H46N2O8/c1-7-35-25(31)21(5)17-19(3)23(29)27-9-13-33-15-11-28(12-16-34-14-10-27)24(30)20(4)18-22(6)26(32)36-8-2/h19-22H,7-18H2,1-6H3
  • InChiKey: UAGMDKBSYWLEFF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • ethyl 5-[10-(5-ethoxy-2,4-dimethyl-5-oxo-pentanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-2,4-dimethyl-5-oxo-pentanoate
  • 5-[10-(5-ethoxy-2,4-dimethyl-1,5-dioxopentyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-2,4-dimethyl-5-oxopentanoic acid ethyl ester
  • 5-[10-(5-ethoxy-5-keto-2,4-dimethyl-pentanoyl)-1,7-dioxa-4,10-diazacyclododec-4-yl]-5-keto-2,4-dimethyl-valeric acid ethyl ester
  • MLS000525322
  • SMR000122196
  • 5-[10-(4-Ethoxycarbonyl-2-methyl-pentanoyl)-1,7-dioxa-4,10-diaza-cyclododec-4-yl]-2,4-dimethyl-5-oxo-pentanoic acid ethyl ester
  • STOCK3S-02797
  • BAS 00227723

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens cytochrome P450, family 3, subfamily A, polypeptide 4 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens cytochrome P450, family 2, subfamily C, polypeptide 19 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans cytochrome P450 56 Get druggable targets OG5_126554 All targets in OG5_126554
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans cytochrome P450 556 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Candida albicans closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Plasmodium yoelii putative AP endonuclease-related 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
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) CYP4Cod1 Get druggable targets OG5_126554 All targets in OG5_126554
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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 granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva hypothetical 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 ap 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
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
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
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 Get druggable targets OG5_126554 All targets in OG5_126554
Leishmania infantum cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Cytochrome P450 family protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Loa Loa (eye worm) cytochrome P450 family protein Get druggable targets OG5_126582 All targets in OG5_126582
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 congolense cytochrome P450, putative Get druggable targets OG5_126554 All targets in OG5_126554
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Leishmania mexicana cytochrome p450-like protein Get druggable targets OG5_126554 All targets in OG5_126554
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 Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Candida albicans similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11 Get druggable targets OG5_126554 All targets in OG5_126554
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 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
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 %
Brugia malayi cytochrome P450 cytochrome P450, family 3, subfamily A, polypeptide 4 502 aa 492 aa 24.2 %
Leishmania major cytochrome p450-like protein cytochrome P450, family 2, subfamily C, polypeptide 19 490 aa 411 aa 23.1 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0075 0.0075
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0011 0.0000000045567
Echinococcus granulosus neuropeptide s receptor 0.048 0.6673 0.6673
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0075 0.0075
Echinococcus granulosus neuropeptide receptor A26 0.048 0.6673 0.6673
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0303 0.4186 0.4186
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0235 0.0028
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0235 0.5
Schistosoma mansoni cpg binding protein 0.0032 0.0359 0.0359
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0693 0.1657
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0075 0.018
Mycobacterium leprae putative cytochrome p450 0.0022 0.0224 1
Brugia malayi Pax transcription factor protein 2 0.0253 0.3478 0.831
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0441 0.0441
Brugia malayi hypothetical protein 0.0037 0.0441 0.1054
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0303 0.4186 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0075 0.018
Loa Loa (eye worm) aryl Hydrocarbon receptor Associated protein family member 0.0014 0.0116 0.0276
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0668 0.1574
Toxoplasma gondii exonuclease III APE 0.0023 0.0235 0.0028
Echinococcus granulosus RUN 0.002 0.0191 0.0191
Leishmania major eukaryotic initiation factor 4a, putative 0.0303 0.4186 1
Onchocerca volvulus 0.0014 0.0116 0.0098
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0693 0.0693
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0075 0.0075
Leishmania major cytochrome p450-like protein 0.004 0.0485 0.0908
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0007 0.002 0.002
Entamoeba histolytica DEAD/DEAH box helicase, putative 0.0303 0.4186 1
Schistosoma mansoni hypothetical protein 0.0176 0.2392 0.2392
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0075 0.0075
Schistosoma mansoni cytochrome P450 0.0022 0.0224 0.0224
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0146 0.0349
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0075 0.0075
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0116 0.0252
Echinococcus granulosus eukaryotic initiation factor 4A III 0.0303 0.4186 0.4186
Leishmania major cytochrome p450-like protein 0.0022 0.0224 0.0267
Echinococcus multilocularis mitogen activated protein kinase 0.0053 0.0668 0.0668
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0053 0.0668 0.1357
Trypanosoma cruzi cytochrome p450-like protein, putative 0.0022 0.0224 0.0267
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0235 0.0112
Loa Loa (eye worm) hypothetical protein 0.0011 0.0075 0.018
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0075 0.0075
Treponema pallidum ATP-dependent RNA helicase 0.0303 0.4186 1
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0668 0.1574
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0075 0.018
Loa Loa (eye worm) hypothetical protein 0.0303 0.4186 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0075 0.018
Brugia malayi cytochrome P450 0.0022 0.0224 0.0536
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0303 0.4186 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0081 0.1054 0.2518
Brugia malayi nuclear receptor NHR-88 0.0011 0.0075 0.018
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0693 0.0693
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0075 0.018
Brugia malayi Cytochrome P450 family protein 0.0022 0.0224 0.0536
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0693 0.0693
Loa Loa (eye worm) hypothetical protein 0.0052 0.0644 0.1539
Leishmania major cytochrome p450-like protein 0.0022 0.0224 0.0267
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0116 0.0252
Onchocerca volvulus 0.002 0.0191 0.028
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0075 0.018
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0014 0.0116 0.0252
Leishmania major protein kinase, putative 0.0015 0.0122 0.0017
Echinococcus granulosus mitogen activated protein kinase 3 0.0053 0.0668 0.0668
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0022 0.0224 0.0224
Loa Loa (eye worm) hypothetical protein 0.0011 0.0075 0.018
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0053 0.0668 0.1595
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0303 0.4186 1
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0235 0.0425
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0011 0.0000000045567
Schistosoma mansoni cpg binding protein 0.0032 0.0359 0.0359
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0183 0.2499 0.597
Brugia malayi Cytochrome P450 family protein 0.004 0.0485 0.1159
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0053 0.0668 0.1357
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0053 0.0668 0.112
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0668 0.1357
Loa Loa (eye worm) pax transcription factor protein 2 0.0253 0.3478 0.831
Brugia malayi PAS domain containing protein 0.0055 0.0686 0.1638
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0303 0.4186 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0075 0.018
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0235 0.0235
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0075 0.018
Brugia malayi hypothetical protein 0.002 0.0191 0.0456
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0075 0.0075
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0022 0.0224 0.0267
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0644 0.1539
Echinococcus granulosus mixed lineage leukemia protein mll 0.0007 0.002 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0693 0.0693
Echinococcus granulosus cpg binding protein 0.0032 0.0359 0.0359
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0075 0.0075
Leishmania major protein kinase, putative 0.0015 0.0122 0.0017
Brugia malayi CXXC zinc finger family protein 0.003 0.0335 0.0801
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0075 0.0075
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0011 0.0000000045567
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0011 0.0000000045567
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0053 0.0668 0.1357
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0011 0.0000000045567
Loa Loa (eye worm) hypoxia-induced factor 1 0.0169 0.2299 0.5492
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0053 0.0668 0.1357
Brugia malayi ecdysteroid receptor 0.0011 0.0075 0.018
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0075 0.018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0011 0.0000000045567
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0007 0.002 0.002
Loa Loa (eye worm) hypothetical protein 0.0016 0.0146 0.0349
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0146 0.0349
Brugia malayi Doublecortin family protein 0.002 0.0191 0.0456
Schistosoma mansoni hypothetical protein 0.0016 0.0146 0.0146
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0441 0.0441
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0015 0.0122 0.0017
Loa Loa (eye worm) hypothetical protein 0.002 0.0191 0.0456
Loa Loa (eye worm) hypothetical protein 0.0011 0.0075 0.018
Schistosoma mansoni coup transcription factor 0.0011 0.0075 0.0075
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0075 0.0075
Onchocerca volvulus 0.002 0.0191 0.028
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0668 0.1574
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0235 0.0538
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0075 0.018
Schistosoma mansoni hypothetical protein 0.0035 0.0413 0.0413
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0011 0.0075 0.018
Echinococcus multilocularis cpg binding protein 0.0032 0.0359 0.0359
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0075 0.018
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0191 0.0191
Echinococcus multilocularis mitogen activated protein kinase 3 0.0053 0.0668 0.0668
Echinococcus multilocularis neuropeptide s receptor 0.048 0.6673 0.6673
Leishmania major eukaryotic initiation factor 4a, putative 0.0303 0.4186 1
Schistosoma mansoni loxhd1 0.002 0.0191 0.0191
Loa Loa (eye worm) hypothetical protein 0.002 0.0191 0.0456
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0075 0.0075
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0303 0.4186 1
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0235 0.0112
Echinococcus multilocularis Aryl hydrocarbon receptor nuclear 0.0014 0.0116 0.0116
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0075 0.0075
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0693 0.0693
Leishmania major lanosterol 14-alpha-demethylase, putative 0.0022 0.0224 0.0267
Loa Loa (eye worm) CYP4Cod1 0.004 0.0485 0.1159
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0693 0.1657
Brugia malayi hypothetical protein 0.002 0.0191 0.0456
Mycobacterium leprae Conserved hypothetical protein 0.0022 0.0224 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0045 0.0045
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0191 0.0191
Echinococcus granulosus Polycystic kidney disease protein 0.002 0.0191 0.0191
Plasmodium falciparum eukaryotic initiation factor 4A 0.0303 0.4186 1
Brugia malayi Cytochrome P450 family protein 0.004 0.0485 0.1159
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0015 0.0122 0.0017
Echinococcus multilocularis lipoxygenase domain containing protein 0.002 0.0191 0.0191
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0235 0.0538
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0063 0.0806 0.0806
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0014 0.0116 0.0252
Trichomonas vaginalis adenylate cyclase, type VII, putative 0.0014 0.0116 0.0252
Echinococcus multilocularis Polycystic kidney disease protein 0.002 0.0191 0.0191
Schistosoma mansoni microtubule-associated protein tau 0.0716 1 1
Toxoplasma gondii histone lysine methyltransferase SET1 0.0056 0.0711 0.1228
Schistosoma mansoni hypothetical protein 0.0016 0.0146 0.0146
Loa Loa (eye worm) CXXC zinc finger family protein 0.003 0.0335 0.0801
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0146 0.0146
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0235 0.0562
Echinococcus granulosus mitogen activated protein kinase 0.0053 0.0668 0.0668
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0235 0.0562
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0075 0.0075
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0075 0.0075
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0075 0.0075
Loa Loa (eye worm) cytochrome P450 0.0022 0.0224 0.0536
Chlamydia trachomatis two component regulatory system sensor histidine kinase 0.0014 0.0116 0.5
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0075 0.018
Entamoeba histolytica hypothetical protein 0.0037 0.0441 0.0521
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0075 0.0075
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0075 0.018
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0303 0.4186 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0235 0.0294
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0441 0.0441
Trypanosoma cruzi STE/STE11 serine/threonine-protein kinase, putative 0.0015 0.0122 0.0017
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0011 0.0075 0.018
Echinococcus granulosus GPCR family 2 0.0016 0.0146 0.0146
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0075 0.018
Schistosoma mansoni hypothetical protein 0.0037 0.0441 0.0441
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0235 0.0235
Echinococcus granulosus aryl hydrocarbon receptor 0.0014 0.0116 0.0116
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0011 0.0000000045567
Mycobacterium tuberculosis Probable cold-shock DeaD-box protein A homolog DeaD (ATP-dependent RNA helicase dead homolog) 0.0303 0.4186 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0235 0.0294
Trichomonas vaginalis guanylate cyclase, putative 0.0014 0.0116 0.0252
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0644 0.1539
Echinococcus granulosus dnaJ subfamily B 0.0424 0.5893 0.5893
Echinococcus granulosus geminin 0.0176 0.2392 0.2392
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0075 0.018
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0075 0.018
Loa Loa (eye worm) doublecortin family protein 0.002 0.0191 0.0456
Loa Loa (eye worm) hypothetical protein 0.0035 0.0413 0.0988
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0075 0.0075
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0075 0.0075
Echinococcus multilocularis RUN 0.002 0.0191 0.0191
Schistosoma mansoni polycystin 1-related 0.002 0.0191 0.0191
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0485 0.1159
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.0022 0.0224 0.0267
Trichomonas vaginalis adenylate cyclase, putative 0.0014 0.0116 0.0252
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0075 0.0075
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0075 0.0075
Schistosoma mansoni hypothetical protein 0.0016 0.0146 0.0146
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0075 0.0075
Trichomonas vaginalis soluble guanylate cyclase gcy, putative 0.0014 0.0116 0.0252
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0693 0.0693
Echinococcus multilocularis eukaryotic initiation factor 4A III 0.0303 0.4186 0.4186
Schistosoma mansoni lipoxygenase 0.002 0.0191 0.0191
Echinococcus multilocularis geminin 0.0176 0.2392 0.2392
Echinococcus granulosus cytochrome P450 2K1 0.0022 0.0224 0.0224
Schistosoma mansoni serine/threonine protein kinase 0.0053 0.0668 0.0668
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0075 0.0075
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0053 0.0668 0.112
Trichomonas vaginalis CMGC family protein kinase 0.0053 0.0668 0.1574
Schistosoma mansoni rab6-interacting 0.002 0.0191 0.0191
Trypanosoma cruzi STE group serine/threonine-protein kinase, putative 0.0015 0.0122 0.0017
Trypanosoma brucei cytochrome P450, putative 0.004 0.0485 0.0659
Schistosoma mansoni rab6-interacting 0.002 0.0191 0.0191
Echinococcus granulosus eukaryotic initiation factor 4A 0.0303 0.4186 0.4186
Schistosoma mansoni hypothetical protein 0.0424 0.5893 0.5893
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0644 0.1539
Echinococcus multilocularis transfer RNA-Lys 0.004 0.0485 0.0485
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0235 0.0028
Entamoeba histolytica hypothetical protein 0.0037 0.0441 0.0521
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0303 0.4186 0.4186
Brugia malayi hypothetical protein 0.0183 0.2499 0.597
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0146 0.0349
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0146 0.0146
Schistosoma mansoni cpg binding protein 0.003 0.0335 0.0335
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0044 0.0104
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0146 0.0146
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0075 0.0075
Trichomonas vaginalis guanylate cyclase, putative 0.0014 0.0116 0.0252
Schistosoma mansoni hypothetical protein 0.0176 0.2392 0.2392
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0007 0.002 0.002
Echinococcus multilocularis microtubule associated protein 2 0.0716 1 1
Schistosoma mansoni single-minded 0.0055 0.0686 0.0686
Echinococcus granulosus Aryl hydrocarbon receptor nuclear 0.0014 0.0116 0.0116
Echinococcus multilocularis GPCR, family 2 0.0016 0.0146 0.0146
Brugia malayi MAP kinase sur-1 0.0053 0.0668 0.1595
Giardia lamblia Kinase, CMGC MAPK 0.0053 0.0668 0.1095
Loa Loa (eye worm) hypothetical protein 0.0011 0.0075 0.018
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0075 0.0075
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0045 0.0108
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0303 0.4186 1
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0075 0.0075
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0075 0.018
Schistosoma mansoni hypothetical protein 0.002 0.0191 0.0191
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0075 0.0075
Loa Loa (eye worm) hypothetical protein 0.0019 0.0176 0.0422
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0007 0.002 0.002
Trypanosoma cruzi cytochrome P450, putative 0.004 0.0485 0.0908
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0075 0.018
Echinococcus multilocularis dnaJ subfamily B 0.0424 0.5893 0.5893
Mycobacterium ulcerans putative regulatory protein 0.004 0.0485 1
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0075 0.0075
Brugia malayi Cytochrome P450 family protein 0.0081 0.1054 0.2518
Schistosoma mansoni ap endonuclease 0.0023 0.0235 0.0235
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0303 0.4186 1
Schistosoma mansoni hypothetical protein 0.0016 0.0146 0.0146
Schistosoma mansoni lipoxygenase 0.0055 0.0686 0.0686
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0055 0.0686 0.0686
Loa Loa (eye worm) hypothetical protein 0.0011 0.0075 0.018
Entamoeba histolytica hypothetical protein 0.0037 0.0441 0.0521
Plasmodium vivax RNA helicase-1, putative 0.0303 0.4186 1
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0413 0.0988
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0055 0.0686 0.0686
Echinococcus granulosus lipoxygenase domain containing protein 0.002 0.0191 0.0191
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0045 0.0045
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.004 0.0485 0.9993
Onchocerca volvulus 0.003 0.0335 0.0632
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0235 0.0294
Brugia malayi nuclear hormone receptor 0.0011 0.0075 0.018
Loa Loa (eye worm) cytochrome P450 family protein 0.004 0.0485 0.1159
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0075 0.018
Trichomonas vaginalis adenylate and guanylate cyclases, putative 0.0014 0.0116 0.0252
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0075 0.018
Brugia malayi bHLH-PAS transcription factor 0.004 0.0485 0.116
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0075 0.018
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0075 0.018
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0693 0.0693
Brugia malayi eukaryotic initiation factor 4A 0.0303 0.4186 1
Echinococcus multilocularis neuropeptide receptor A26 0.048 0.6673 0.6673
Loa Loa (eye worm) hypothetical protein 0.0014 0.0116 0.0276
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0075 0.018
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0011 0.0000000045567
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0075 0.018
Schistosoma mansoni aryl hydrocarbon receptor 0.0055 0.0686 0.0686
Brugia malayi steroid hormone receptor 0.0011 0.0075 0.018
Onchocerca volvulus 0.0253 0.3478 0.8279
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0075 0.018
Brugia malayi hypoxia-induced factor 1 0.0169 0.2299 0.5492
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0303 0.4186 1
Echinococcus multilocularis eukaryotic initiation factor 4A 0.0303 0.4186 0.4186
Trichomonas vaginalis conserved hypothetical protein 0.0014 0.0116 0.0252
Trypanosoma brucei protein kinase, putative 0.0053 0.0668 0.112
Schistosoma mansoni ap endonuclease 0.0023 0.0235 0.0235
Trypanosoma cruzi cytochrome P450, putative 0.004 0.0485 0.0908
Entamoeba histolytica hypothetical protein 0.0037 0.0441 0.0521
Echinococcus multilocularis 0.0022 0.0224 0.0224
Echinococcus granulosus single minded 2 0.004 0.0485 0.0485
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0053 0.0668 0.1357
Echinococcus multilocularis aryl hydrocarbon receptor 0.0014 0.0116 0.0116
Onchocerca volvulus 0.004 0.0485 0.0997

Activities

Activity type Activity value Assay description Source Reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp1a2 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c9 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2d6 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 10 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp2c19 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
AC50 (functional) = 11.22018454 uM PUBCHEM_BIOASSAY: Cytochrome panel assay with activity outcomes. (Class of assay: other) Panel member name: p450-cyp3a4 Compounds with AC50 equal or less than 10 uM are considered active ChEMBL. No reference
Potency (functional) 0.0224 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 8.2753 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 8.9125 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) 9.285 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: Inhibitors of TCP-1 ring complex (TRiC) of Methanococcus maripaludis (MmCpn): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488991] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 89.1251 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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