Detailed information for compound 1345224

Basic information

Technical information
  • TDR Targets ID: 1345224
  • Name: (4-methoxyphenyl) 4-(1,3-dioxoisoindol-2-yl)b utanoate
  • MW: 339.342 | Formula: C19H17NO5
  • H donors: 0 H acceptors: 3 LogP: 2.61 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1ccc(cc1)OC(=O)CCCN1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C19H17NO5/c1-24-13-8-10-14(11-9-13)25-17(21)7-4-12-20-18(22)15-5-2-3-6-16(15)19(20)23/h2-3,5-6,8-11H,4,7,12H2,1H3
  • InChiKey: LZZMTRDFYVBWGT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4-methoxyphenyl) 4-(1,3-dioxoisoindolin-2-yl)butanoate
  • 4-(1,3-dioxo-2-isoindolinyl)butanoic acid (4-methoxyphenyl) ester
  • 4-(1,3-diketoisoindolin-2-yl)butyric acid (4-methoxyphenyl) ester
  • 4-methoxyphenyl 4-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)butanoate
  • MLS000063412
  • SMR000072770
  • ZINC00466563

Targets

Known targets for this compound

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

Predicted pathogen targets for this compound

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

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0284 0.0283
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Echinococcus granulosus sodium bile acid cotransporter 0.0198 0.2558 0.2557
Echinococcus multilocularis histone acetyltransferase MYST2 0.006 0.0685 0.0683
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0014 0.0064 0.0063
Loa Loa (eye worm) hypothetical protein 0.0031 0.0284 0.0282
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0284 0.0662
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0284 0.0283
Brugia malayi CHD4 protein 0.0014 0.0063 0.0063
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0459 0.1375
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0013 0.0041 0.00000000036316
Schistosoma mansoni myelin transcription factor 1 myt1 0.006 0.0685 0.1599
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0003
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0137 0.0994
Echinococcus granulosus histone acetyltransferase MYST2 0.006 0.0685 0.0683
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0743 0.1735
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0619 0.1446
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0284 0.0283
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.006 0.0685 0.0683
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0039
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0016 0.0081 0.0132
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0064 0.0064
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0284 0.0282
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0137 0.0135
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0284 0.0282
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0743 0.1735
Schistosoma mansoni hypothetical protein 0.0018 0.0107 0.025
Echinococcus granulosus polycomb protein SCMH1 0.0053 0.0586 0.0584
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.0281 0.2046
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0031 0.0284 0.0662
Loa Loa (eye worm) hypothetical protein 0.0016 0.0088 0.0086
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0021 0.0151 0.1068
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0107 0.0106
Echinococcus granulosus sodium bile acid cotransporter 0.0198 0.2558 0.2557
Loa Loa (eye worm) hypothetical protein 0.0053 0.0586 0.0584
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0064 0.0063
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0014 0.0064 0.015
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0284 0.0662
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0013 0.0041 0.0299
Loa Loa (eye worm) nuclear hormone receptor 0.0014 0.0064 0.0063
Onchocerca volvulus 0.0111 0.1374 0.4381
Plasmodium falciparum chromodomain-helicase-DNA-binding protein 1 homolog, putative 0.0013 0.0041 0.000000010023
Loa Loa (eye worm) hypothetical protein 0.006 0.0685 0.0683
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0284 0.0282
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0039
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0107 0.0106
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0284 0.0662
Loa Loa (eye worm) hypothetical protein 0.0198 0.2558 0.2557
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0152 0.1935 0.1935
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0128 0.0285
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0016 0.0088 0.0086
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0137 0.0136
Echinococcus granulosus geminin 0.0169 0.2159 0.2158
Brugia malayi Type III restriction enzyme, res subunit family protein 0.0013 0.0041 0.0041
Trichomonas vaginalis esterase, putative 0.0111 0.1374 0.4381
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0743 0.1735
Onchocerca volvulus 0.0013 0.0041 0.000000055635
Loa Loa (eye worm) hypothetical protein 0.0016 0.0088 0.0086
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0284 0.0282
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0111 0.1374 0.131
Brugia malayi hypothetical protein 0.0014 0.0064 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0284 0.0283
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0014 0.0063 0.0147
Echinococcus granulosus FTZ F1 alpha 0.0031 0.0284 0.0282
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0284 0.0283
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0284 0.0283
Trichomonas vaginalis D-aminoacylase, putative 0.0111 0.1374 0.4381
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0284 0.0797
Onchocerca volvulus 0.0031 0.0284 0.0797
Mycobacterium tuberculosis Probable lipase LipD 0.0111 0.1374 0.131
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0031 0.0284 0.0282
Loa Loa (eye worm) hypothetical protein 0.0016 0.0088 0.0086
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0281 0.0656
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0284 0.0662
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0039
Brugia malayi nuclear receptor RXR 0.0016 0.0088 0.0088
Schistosoma mansoni cpg binding protein 0.003 0.0273 0.0636
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0064 0.0064
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0064 0.0063
Loa Loa (eye worm) hypothetical protein 0.0031 0.0284 0.0282
Schistosoma mansoni sodium-bile acid cotransporter related 0.008 0.0959 0.2239
Schistosoma mansoni hypothetical protein 0.0169 0.2159 0.504
Loa Loa (eye worm) hypothetical protein 0.002 0.0137 0.0135
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0055 0.0623 0.0623
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0284 0.0283
Schistosoma mansoni sodium-bile acid cotransporter related 0.0198 0.2558 0.597
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.002 0.0137 0.8657
Mycobacterium ulcerans beta-lactamase 0.0111 0.1374 1
Brugia malayi beta-lactamase 0.0111 0.1374 0.1374
Brugia malayi Valyl-tRNA synthetase 0.0013 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0619 0.0618
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0619 0.0618
Brugia malayi conserved hypotetical protein 0.0014 0.0064 0.0064
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0284 0.0662
Onchocerca volvulus 0.0236 0.3083 1
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0137 0.096
Brugia malayi ecdysone receptor 0.0014 0.0064 0.0064
Mycobacterium tuberculosis Conserved protein 0.0111 0.1374 0.131
Echinococcus multilocularis sodium bile acid cotransporter 0.0198 0.2558 0.2557
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0208 0.2694 0.2693
Trichomonas vaginalis DNA helicase recq1, putative 0.002 0.0137 0.0314
Echinococcus multilocularis SAM and MBT domain containing protein 0.0053 0.0586 0.0584
Echinococcus granulosus chromobox protein 1 0.0078 0.0923 0.0921
Loa Loa (eye worm) hypothetical protein 0.0111 0.1374 0.1372
Plasmodium vivax SET domain protein, putative 0.003 0.0281 0.2046
Schistosoma mansoni nuclear receptor 0.0014 0.0064 0.015
Mycobacterium tuberculosis Probable lipase LipE 0.0111 0.1374 0.131
Loa Loa (eye worm) hypothetical protein 0.0111 0.1374 0.1372
Brugia malayi SET domain containing protein 0.0014 0.0064 0.0064
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0014 0.0064 0.0063
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0014 0.0064 0.0076
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0284 0.0282
Entamoeba histolytica recQ family helicase, putative 0.002 0.0137 0.9022
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0284 0.0662
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0284 0.0282
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.1374 1
Schistosoma mansoni hypothetical protein 0.0169 0.2159 0.504
Brugia malayi RNA recognition motif domain containing protein 0.0064 0.0743 0.0743
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0137 0.0136
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.003 0.0281 0.0279
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0107 0.0106
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0212 0.2751 0.275
Schistosoma mansoni survival motor neuron protein 0.0152 0.1935 0.4516
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0064 0.0064
Onchocerca volvulus 0.0198 0.2558 0.8274
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.001 0.0005 0.0038
Brugia malayi TAR-binding protein 0.0064 0.0743 0.0743
Loa Loa (eye worm) hypothetical protein 0.0031 0.0284 0.0282
Echinococcus multilocularis FTZ F1 alpha 0.0031 0.0284 0.0282
Brugia malayi nuclear hormone receptor 0.0031 0.0284 0.0283
Mycobacterium ulcerans lipase LipD 0.0111 0.1374 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0619 0.0618
Trypanosoma cruzi hypothetical protein, conserved 0.0111 0.1374 1
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0014 0.0064 0.015
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0284 0.0662
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0064 0.015
Onchocerca volvulus 0.0034 0.0332 0.0955
Echinococcus granulosus beta LACTamase domain containing family member 0.0111 0.1374 0.1372
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0111 0.1374 0.131
Echinococcus multilocularis chromobox protein 2 0.0013 0.0041 0.0039
Trichomonas vaginalis set domain proteins, putative 0.0236 0.3083 1
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0284 0.0283
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0281 0.0656
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0021 0.0151 1
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0287 0.0808
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0053 0.0586 0.179
Brugia malayi MH2 domain containing protein 0.0128 0.1606 0.1606
Plasmodium vivax hypothetical protein, conserved 0.0111 0.1374 1
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0137 0.0314
Loa Loa (eye worm) hypothetical protein 0.0031 0.0284 0.0282
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Echinococcus multilocularis chromobox protein 1 0.0078 0.0923 0.0921
Brugia malayi nuclear receptor NHR-67 0.0014 0.0064 0.0064
Brugia malayi CXXC zinc finger family protein 0.0028 0.0251 0.0251
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0021 0.0151 0.1068
Treponema pallidum exodeoxyribonuclease (exoA) 0.0021 0.0151 1
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0014 0.0064 0.0063
Onchocerca volvulus 0.0152 0.1935 0.6226
Schistosoma mansoni chromobox protein 0.0013 0.0041 0.0096
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0039
Loa Loa (eye worm) hypothetical protein 0.0055 0.0623 0.0621
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Loa Loa (eye worm) hypothetical protein 0.0745 1 1
Schistosoma mansoni chromodomain helicase DNA binding protein 0.0013 0.0041 0.0096
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0014 0.0064 0.0063
Echinococcus multilocularis chromobox protein 1 0.0078 0.0923 0.0921
Loa Loa (eye worm) nuclear receptor NHR-67 0.0014 0.0064 0.0063
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0923 0.2898
Onchocerca volvulus 0.0111 0.1374 0.4381
Onchocerca volvulus 0.0111 0.1374 0.4381
Brugia malayi nuclear receptor NHR-88 0.0014 0.0064 0.0064
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0107 0.0106
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0021 0.0151 0.015
Loa Loa (eye worm) MBCTL1 0.006 0.0685 0.0683
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0284 0.0282
Onchocerca volvulus 0.0043 0.0454 0.1356
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0137 0.0135
Echinococcus granulosus chromobox protein 1 0.0078 0.0923 0.0921
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0088 0.0088
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.0608 0.4423
Echinococcus multilocularis sodium bile acid cotransporter 0.0198 0.2558 0.2557
Toxoplasma gondii chromodomain helicase DNA binding protein CHD1/SWI2/SNF2 0.0013 0.0041 0.0299
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0031 0.0284 0.0283
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.006 0.0685 0.0683
Loa Loa (eye worm) hypothetical protein 0.0031 0.0284 0.0282
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0743 0.1735
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0021 0.0151 0.012
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0021 0.0151 0.5
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0212 0.2751 0.275
Echinococcus multilocularis Chromo domain 0.0013 0.0041 0.0039
Loa Loa (eye worm) helicase 0.0013 0.0041 0.0039
Trichomonas vaginalis penicillin-binding protein, putative 0.0111 0.1374 0.4381
Schistosoma mansoni zinc finger protein 0.0014 0.0064 0.015
Brugia malayi Nuclear hormone receptor-like 1 0.0016 0.0088 0.0088
Plasmodium vivax hypothetical protein, conserved 0.0013 0.0041 0.0299
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0504 0.1523
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0107 0.0106
Echinococcus granulosus Chromobox protein 3 0.0013 0.0041 0.0039
Echinococcus multilocularis nuclear receptor nhr 48 0.0014 0.0064 0.0063
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0064 0.0064
Echinococcus multilocularis cpg binding protein 0.003 0.0273 0.0271
Loa Loa (eye worm) hypothetical protein 0.0016 0.0088 0.0086
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0088 0.0153
Echinococcus multilocularis chromodomain helicase DNA binding protein 4 0.0014 0.0063 0.0061
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0111 0.1374 0.3206
Schistosoma mansoni hypothetical protein 0.0013 0.0041 0.0096
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0128 0.0285
Trichomonas vaginalis DNA helicase recq, putative 0.002 0.0137 0.0314
Echinococcus granulosus thyroid hormone receptor alpha 0.0014 0.0064 0.0063
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0151 0.0362
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0284 0.0282
Schistosoma mansoni hypothetical protein 0.0325 0.4285 1
Brugia malayi chromobox protein homolog 3 0.0043 0.0459 0.0459
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0284 0.0282
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0064 0.0064
Loa Loa (eye worm) MH2 domain-containing protein 0.0128 0.1606 0.1605
Echinococcus multilocularis Chromobox protein 3 0.0013 0.0041 0.0039
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0284 0.0283
Schistosoma mansoni chromobox protein 0.0078 0.0923 0.2153
Echinococcus granulosus cpg binding protein 0.003 0.0273 0.0271
Echinococcus multilocularis geminin 0.0169 0.2159 0.2158
Brugia malayi beta-lactamase family protein 0.0111 0.1374 0.1374
Leishmania major hypothetical protein, conserved 0.0111 0.1374 1
Loa Loa (eye worm) transcription factor SMAD2 0.0128 0.1606 0.1605
Echinococcus multilocularis sodium bile acid cotransporter 0.0198 0.2558 0.2557
Loa Loa (eye worm) hypothetical protein 0.0016 0.0088 0.0086
Schistosoma mansoni cpg binding protein 0.003 0.0273 0.0636
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0258 0.0256
Schistosoma mansoni hypothetical protein 0.0018 0.0107 0.025
Loa Loa (eye worm) RNA binding protein 0.0064 0.0743 0.0742
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0014 0.0064 0.0063
Echinococcus multilocularis polycomb protein SCMH1 0.0053 0.0586 0.0584
Schistosoma mansoni chromobox protein 0.0013 0.0041 0.0096
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0504 0.1523
Echinococcus granulosus chromodomain helicase DNA binding protein 1 0.0013 0.0041 0.0039
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0251 0.0249
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0137 0.0135
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0128 0.0285
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0041 0.00000000036316
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0053 0.0586 0.1367
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0284 0.0797
Schistosoma mansoni tar DNA-binding protein 0.0064 0.0743 0.1735
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0284 0.0282
Plasmodium vivax hypothetical protein, conserved 0.0013 0.0041 0.0299
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0111 0.1374 0.1372
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0041 0.2718
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0619 0.0618
Schistosoma mansoni sodium-bile acid cotransporter 0.0118 0.1467 0.3425
Loa Loa (eye worm) hypothetical protein 0.0034 0.0332 0.033
Brugia malayi Heterochromatin protein 1 0.0078 0.0923 0.0922
Brugia malayi hypothetical protein 0.0016 0.0088 0.0088
Trichomonas vaginalis penicillin-binding protein, putative 0.0111 0.1374 0.4381
Echinococcus granulosus histone lysine methyltransferase setb 0.003 0.0281 0.0279
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0128 0.0285
Echinococcus multilocularis bloom syndrome protein 0.002 0.0137 0.0135
Onchocerca volvulus 0.0053 0.0586 0.179
Schistosoma mansoni ap endonuclease 0.0021 0.0151 0.0353
Schistosoma mansoni nuclear receptor 0.0014 0.0064 0.015
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0016 0.0088 0.0205
Brugia malayi beta-lactamase family protein 0.0111 0.1374 0.1374
Brugia malayi Associated with TFs and helicases family protein 0.0013 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0111 0.1374 0.1372
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0128 0.0285
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.0281 0.0656
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0284 0.0282
Loa Loa (eye worm) hypothetical protein 0.0111 0.1374 0.1372
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0111 0.1374 1
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0041 0.2718
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0021 0.0151 0.015
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0151 0.1102
Mycobacterium tuberculosis Probable hydrolase 0.0111 0.1374 0.131
Echinococcus granulosus sodium bile acid cotransporter 0.0198 0.2558 0.2557
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0016 0.0088 0.0086
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0016 0.0088 0.0086
Schistosoma mansoni chromobox protein 0.0078 0.0923 0.2153
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0128 0.0285
Loa Loa (eye worm) hypothetical protein 0.0031 0.0284 0.0282
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0284 0.0797
Brugia malayi RNA binding protein 0.0064 0.0743 0.0743
Trichomonas vaginalis chromobox protein, putative 0.0047 0.0504 0.1523
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0619 0.1446
Brugia malayi Protein cec-1. 0.0013 0.0041 0.0041
Loa Loa (eye worm) heterochromatin protein 1 0.0078 0.0923 0.0921
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0016 0.0088 0.0205
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0039
Trichomonas vaginalis chromobox protein, putative 0.0078 0.0923 0.2898
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0111 0.1374 0.131
Onchocerca volvulus 0.0014 0.0064 0.0076
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0619 0.1446
Schistosoma mansoni cpg binding protein 0.0028 0.0251 0.0586
Schistosoma mansoni hypothetical protein 0.0038 0.0384 0.0897
Toxoplasma gondii 'chromo' (CHRromatin Organization MOdifier) domain-containing protein 0.0013 0.0041 0.0299
Entamoeba histolytica hypothetical protein 0.0013 0.0041 0.2718
Echinococcus granulosus Nuclear hormone receptor HR96 0.0014 0.0064 0.0063
Trichomonas vaginalis D-aminoacylase, putative 0.0111 0.1374 0.4381
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0031 0.0284 0.0282
Schistosoma mansoni hypothetical protein 0.0152 0.1935 0.4516
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0137 0.0135
Entamoeba histolytica hypothetical protein 0.0013 0.0041 0.2718
Brugia malayi nuclear receptor NHR-88 0.0031 0.0284 0.0283
Brugia malayi tailless protein 0.0014 0.0064 0.0064
Loa Loa (eye worm) mbt repeat family protein 0.0053 0.0586 0.0584
Trichomonas vaginalis D-aminoacylase, putative 0.0111 0.1374 0.4381
Brugia malayi Sodium Bile acid symporter family protein 0.0198 0.2558 0.2558
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0619 0.0618
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0284 0.0283
Mycobacterium ulcerans esterase/lipase LipP 0.0111 0.1374 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0055 0.0623 0.0621
Schistosoma mansoni hypothetical protein 0.0018 0.0107 0.025
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0284 0.0282
Entamoeba histolytica chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0041 0.2718
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0137 0.0135
Brugia malayi hypothetical protein 0.0014 0.0064 0.0064
Brugia malayi nuclear receptor RXR 0.0014 0.0064 0.0064
Brugia malayi mbt repeat family protein 0.0053 0.0586 0.0585
Schistosoma mansoni coup transcription factor 0.0031 0.0284 0.0662
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Plasmodium vivax heterochromatin protein 1, putative 0.0013 0.0041 0.0299
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0014 0.0064 0.0076
Toxoplasma gondii ABC1 family protein 0.0111 0.1374 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0284 0.0282
Brugia malayi Pre-SET motif family protein 0.003 0.0281 0.0281
Trichomonas vaginalis ap endonuclease, putative 0.0021 0.0151 0.0362
Loa Loa (eye worm) hypothetical protein 0.001 0.0005 0.0003
Loa Loa (eye worm) hypothetical protein 0.0111 0.1374 0.1372
Brugia malayi latrophilin 2 splice variant baaae 0.0038 0.0384 0.0384
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0039
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0284 0.0282
Loa Loa (eye worm) RecQ helicase 0.002 0.0137 0.0135
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0021 0.0151 1
Echinococcus granulosus bloom syndrome protein 0.002 0.0137 0.0135
Brugia malayi mbt repeat family protein 0.0053 0.0586 0.0585
Brugia malayi hypothetical protein 0.0016 0.0088 0.0088
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Loa Loa (eye worm) hypothetical protein 0.0043 0.0459 0.0458
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0284 0.0282
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0284 0.0662
Loa Loa (eye worm) TAR-binding protein 0.0064 0.0743 0.0742
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0284 0.0282
Loa Loa (eye worm) hypothetical protein 0.0031 0.0284 0.0282
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.002 0.0137 0.8657
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0137 0.0136
Brugia malayi Pre-SET motif family protein 0.0208 0.2694 0.2694
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.006 0.0685 0.0685
Echinococcus multilocularis GPCR, family 2 0.0018 0.0107 0.0106
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0619 0.0619
Loa Loa (eye worm) DR-78 0.0014 0.0064 0.0063
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0284 0.0283
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0459 0.1375
Brugia malayi Calcitonin receptor-like protein seb-1 0.0055 0.0623 0.0623
Echinococcus granulosus SAM and MBT domain containing protein 0.0053 0.0586 0.0584
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0284 0.0282
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0284 0.0282
Onchocerca volvulus 0.0028 0.0251 0.0689
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0019 0.0128 0.0285
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0107 0.0107
Loa Loa (eye worm) hypothetical protein 0.003 0.0281 0.0279
Schistosoma mansoni nuclear receptor nhr-48 0.0014 0.0064 0.015
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0013 0.0041 0.00000000036316
Loa Loa (eye worm) hypothetical protein 0.0111 0.1374 0.1372
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0137 0.0994
Entamoeba histolytica hypothetical protein 0.0013 0.0041 0.2718
Mycobacterium tuberculosis Conserved protein 0.0111 0.1374 0.131
Echinococcus multilocularis survival motor neuron protein 1 0.0745 1 1
Schistosoma mansoni hypothetical protein 0.0018 0.0107 0.025
Mycobacterium ulcerans hypothetical protein 0.0111 0.1374 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0021 0.0151 0.012
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0019 0.0128 0.0285
Entamoeba histolytica recQ family DNA helicase 0.001 0.0005 0.0343
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0284 0.0282
Echinococcus granulosus Chromo domain 0.0013 0.0041 0.0039
Schistosoma mansoni DNA helicase recq1 0.002 0.0137 0.0319
Brugia malayi hypothetical protein 0.0013 0.0041 0.0041
Loa Loa (eye worm) hypothetical protein 0.0031 0.0284 0.0282
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0111 0.1374 0.1374
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.0281 0.0279
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0016 0.0088 0.0153
Loa Loa (eye worm) hypothetical protein 0.0038 0.0384 0.0382
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0064 0.0743 0.0742
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0041 0.0096
Trypanosoma brucei hypothetical protein, conserved 0.0111 0.1374 1
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Echinococcus granulosus chromobox protein 2 0.0013 0.0041 0.0039
Schistosoma mansoni ap endonuclease 0.0021 0.0151 0.0353
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.001 0.0005 0.0038
Echinococcus granulosus GPCR family 2 0.0018 0.0107 0.0106
Brugia malayi nuclear hormone receptor 0.0014 0.0064 0.0064
Loa Loa (eye worm) beta-lactamase 0.0111 0.1374 0.1372
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0284 0.0282
Echinococcus granulosus nuclear receptor nhr 48 0.0014 0.0064 0.0063
Mycobacterium leprae Probable lipase LipE 0.0111 0.1374 0.5
Echinococcus multilocularis chromodomain helicase DNA binding protein 1 0.0013 0.0041 0.0039
Echinococcus multilocularis beta LACTamase domain containing family member 0.0111 0.1374 0.1372
Brugia malayi ecdysteroid receptor 0.0031 0.0284 0.0283
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0586 0.1367
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0043 0.0454 0.1058
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0284 0.0283
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0107 0.0107
Trichomonas vaginalis conserved hypothetical protein 0.0031 0.0287 0.0808
Brugia malayi M-phase phosphoprotein, mpp8 0.0013 0.0041 0.0041
Onchocerca volvulus 0.0014 0.0064 0.0076
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0064 0.0064
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0284 0.0283
Echinococcus multilocularis tar DNA binding protein 0.0064 0.0743 0.0742
Loa Loa (eye worm) hypothetical protein 0.0013 0.0041 0.0039
Trichomonas vaginalis conserved hypothetical protein 0.0043 0.0459 0.1375
Mycobacterium tuberculosis Conserved protein 0.0111 0.1374 0.131
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0284 0.0662
Loa Loa (eye worm) CHromoDomain protein family member 0.0014 0.0063 0.0061
Brugia malayi exodeoxyribonuclease III family protein 0.0021 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0014 0.0064 0.0063
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0707 0.9485 1
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0014 0.0064 0.0063
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0284 0.0282
Echinococcus granulosus chromodomain helicase DNA binding protein 4 0.0014 0.0063 0.0061
Echinococcus granulosus survival motor neuron protein 1 0.0745 1 1
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0694 0.162
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0284 0.0662
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0111 0.1374 0.3206
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0284 0.0282
Schistosoma mansoni chromobox protein-related (chromobox 1) (heterochromatin 1) 0.0013 0.0041 0.0096
Schistosoma mansoni nuclear hormone receptor 0.0014 0.0064 0.015
Mycobacterium leprae conserved hypothetical protein 0.0111 0.1374 0.5
Toxoplasma gondii exonuclease III APE 0.0021 0.0151 0.1102
Echinococcus granulosus tar DNA binding protein 0.0064 0.0743 0.0742
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0021 0.0151 0.015
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0021 0.0151 1
Mycobacterium tuberculosis Probable esterase LipL 0.0111 0.1374 0.131
Schistosoma mansoni DNA helicase recq5 0.002 0.0137 0.0319
Loa Loa (eye worm) hypothetical protein 0.0018 0.0107 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0284 0.0283
Schistosoma mansoni sex comb on midleg homolog 0.0053 0.0586 0.1367
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0005 0.0012
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0284 0.0662
Brugia malayi steroid hormone receptor 0.0031 0.0284 0.0283
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0014 0.0064 0.0063
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0284 0.0283

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 1.6353 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 6.3096 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) 13.1154 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) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
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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