Detailed information for compound 1272028

Basic information

Technical information
  • TDR Targets ID: 1272028
  • Name: 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1 -oxophthalazin-2-yl]-N-methylacetamide
  • MW: 414.478 | Formula: C20H22N4O4S
  • H donors: 1 H acceptors: 4 LogP: 1.72 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CNC(=O)Cn1nc(c2ccc(c(c2)S(=O)(=O)N(C)C)C)c2c(c1=O)cccc2
  • InChi: 1S/C20H22N4O4S/c1-13-9-10-14(11-17(13)29(27,28)23(3)4)19-15-7-5-6-8-16(15)20(26)24(22-19)12-18(25)21-2/h5-11H,12H2,1-4H3,(H,21,25)
  • InChiKey: LIKAAVFDNQYQIY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-oxo-phthalazin-2-yl]-N-methyl-acetamide
  • 2-[4-[3-(dimethylsulfamoyl)-4-methylphenyl]-1-oxo-2-phthalazinyl]-N-methylacetamide
  • 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-keto-phthalazin-2-yl]-N-methyl-acetamide
  • 2-[4-[3-(dimethylsulfamoyl)-4-methyl-phenyl]-1-oxo-phthalazin-2-yl]-N-methyl-ethanamide
  • BAS 02999443
  • STK097831
  • Oprea1_757430
  • 2-[4-(3-Dimethylsulfamoyl-4-methyl-phenyl)-1-oxo-1H-phthalazin-2-yl]-N-methyl-acetamide
  • MLS000523239
  • SMR000123217
  • ZINC00891826
  • Oprea1_080044

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 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
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii putative AP endonuclease-related 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 japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani 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
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein 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) exodeoxyribonuclease III family 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
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium falciparum 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 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
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative 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
Giardia lamblia Endonuclease/Exonuclease/phosphatase 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
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
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 apurinic/apyrimidinic endonuclease, 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
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.029 0.0488
Loa Loa (eye worm) hypothetical protein 0.0029 0.0221 0.052
Loa Loa (eye worm) hypothetical protein 0.0256 0.3059 0.8148
Onchocerca volvulus 0.0035 0.029 0.5452
Toxoplasma gondii ABC1 family protein 0.0035 0.029 0.2801
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0139 0.0207
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0083 0.0102
Brugia malayi Bromodomain containing protein 0.0042 0.0374 0.0998
Schistosoma mansoni nuclear hormone receptor 0.0029 0.0221 0.036
Schistosoma mansoni cpg binding protein 0.0031 0.0244 0.0403
Loa Loa (eye worm) hypothetical protein 0.0311 0.3748 1
Echinococcus granulosus geminin 0.0195 0.2297 0.4226
Echinococcus multilocularis GPCR, family 2 0.0018 0.0083 0.0055
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0546 0.0964
Plasmodium vivax hypothetical protein, conserved 0.0035 0.029 1
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0057 0.0574 0.1531
Brugia malayi nuclear receptor RXR 0.0015 0.0049 0.013
Schistosoma mansoni lamin 0.0031 0.0244 0.0402
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0221 0.036
Loa Loa (eye worm) hypothetical protein 0.0031 0.0244 0.058
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0493 1
Schistosoma mansoni ap endonuclease 0.0023 0.0139 0.0207
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0029 0.0221 0.052
Echinococcus multilocularis muscleblind protein 1 0.0311 0.3748 0.373
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0051 0.0493 1
Schistosoma mansoni survival motor neuron protein 0.0052 0.0509 0.0895
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0029 0.0221 0.0194
Loa Loa (eye worm) hypothetical protein 0.0108 0.1208 0.3172
Schistosoma mansoni hypothetical protein 0.0018 0.0083 0.0102
Echinococcus multilocularis lamin 0.0031 0.0244 0.0216
Loa Loa (eye worm) beta-lactamase 0.0035 0.029 0.0705
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.0624 0.9008
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0095 0.0124
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0029 0.0221 0.036
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0221 0.0591
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0546 0.0964
Schistosoma mansoni zinc finger protein 0.0017 0.0063 0.0064
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0028 0.0075
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0057 0.0574 0.1467
Schistosoma mansoni hypothetical protein 0.0079 0.0842 0.1516
Mycobacterium tuberculosis Conserved protein 0.0035 0.029 0.0605
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0019 0.0095 0.0124
Schistosoma mansoni hypothetical protein 0.0018 0.0083 0.0102
Schistosoma mansoni hypothetical protein 0.0039 0.0346 0.0593
Onchocerca volvulus 0.0052 0.0509 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0066 0.0678 0.216
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0051 0.0493 1
Echinococcus granulosus histone lysine methyltransferase setb 0.0019 0.0095 0.0124
Echinococcus granulosus FTZ F1 alpha 0.0401 0.4866 0.9012
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0221 0.0194
Brugia malayi ecdysone receptor 0.0014 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0044 0.0407 0.1019
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0026 0.0183 0.0155
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0015 0.0049 0.0039
Brugia malayi latrophilin 2 splice variant baaae 0.0039 0.0346 0.0924
Onchocerca volvulus 0.0029 0.0221 0.4024
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0066 0.0686 0.1226
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0139 0.5
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.029 0.0605
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0678 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0139 0.1781
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0029 0.0221 0.036
Brugia malayi intermediate filament protein 0.0031 0.0244 0.0651
Loa Loa (eye worm) hypothetical protein 0.0035 0.029 0.0705
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0051 0.0493 0.6992
Mycobacterium tuberculosis Conserved protein 0.0035 0.029 0.0605
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0051 0.0493 0.1249
Onchocerca volvulus Protein ultraspiracle homolog 0.0029 0.0221 0.4024
Loa Loa (eye worm) hypothetical protein 0.0052 0.0507 0.1288
Loa Loa (eye worm) hypothetical protein 0.0029 0.0221 0.052
Echinococcus multilocularis lamin dm0 0.0031 0.0244 0.0216
Loa Loa (eye worm) hypothetical protein 0.0018 0.0083 0.0147
Schistosoma mansoni hypothetical protein 0.0022 0.0135 0.0199
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0063 0.0169
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.029 0.4268
Loa Loa (eye worm) hypothetical protein 0.0039 0.0346 0.0856
Schistosoma mansoni cpg binding protein 0.0035 0.0292 0.0493
Loa Loa (eye worm) bromodomain containing protein 0.0019 0.0095 0.0179
Brugia malayi Intermediate filament tail domain containing protein 0.0031 0.0244 0.0651
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.0244 0.0582
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0029 0.0221 0.036
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0493 1
Schistosoma mansoni intermediate filament proteins 0.0031 0.0244 0.0402
Brugia malayi Muscleblind-like protein 0.0311 0.3748 1
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0108 0.1208 0.3223
Brugia malayi Nuclear hormone receptor-like 1 0.0029 0.0221 0.0591
Brugia malayi CXXC zinc finger family protein 0.0031 0.0244 0.0652
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0108 0.1208 0.3223
Echinococcus multilocularis ecdysone induced protein 78C 0.0029 0.0221 0.0194
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.029 0.0605
Brugia malayi PHD-finger family protein 0.0029 0.0215 0.0574
Echinococcus granulosus tumor protein p63 0.0356 0.4307 0.7972
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0493 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0029 0.0221 0.0194
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0546 0.0519
Brugia malayi hypothetical protein 0.0256 0.3059 0.8162
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0021
Brugia malayi orphan nuclear receptor NR2E1 0.0014 0.0028 0.0075
Loa Loa (eye worm) hypothetical protein 0.0029 0.0221 0.052
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0029 0.0221 0.052
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0043 0.0015
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0031 0.0244 0.058
Loa Loa (eye worm) hypothetical protein 0.0029 0.0221 0.052
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0029 0.0221 0.052
Onchocerca volvulus 0.0031 0.0244 0.4501
Onchocerca volvulus Bile acid receptor homolog 0.0029 0.0221 0.4024
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0051 0.0493 0.6564
Onchocerca volvulus 0.0035 0.029 0.5452
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0029 0.0221 0.052
Schistosoma mansoni hypothetical protein 0.0443 0.5396 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0039 0.0342 0.0315
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0051 0.0493 0.6992
Schistosoma mansoni hypothetical protein 0.0018 0.0083 0.0102
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.029 0.5289
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0066 0.0678 0.1211
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0066 0.0678 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0026 0.0183 0.0288
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.029 0.0488
Loa Loa (eye worm) hypothetical protein 0.0029 0.0221 0.052
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0015 0.0049 0.0021
Brugia malayi Bromodomain containing protein 0.0083 0.0893 0.2384
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.029 0.0605
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.029 0.0774
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0083 0.0102
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.029 0.0605
Giardia lamblia Kinase, CMGC MAPK 0.0051 0.0493 1
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0493 1
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0052 0.0509 0.1357
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0083 0.0147
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0015 0.0049 0.0039
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0029 0.0221 0.4024
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.029 0.4268
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0139 0.5
Schistosoma mansoni hypothetical protein 0.0052 0.0509 0.0895
Loa Loa (eye worm) hypothetical protein 0.0015 0.0049 0.0056
Trichomonas vaginalis CMGC family protein kinase 0.0051 0.0493 1
Echinococcus multilocularis cpg binding protein 0.0035 0.0292 0.0265
Loa Loa (eye worm) steroid hormone receptor 0.0029 0.0221 0.052
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0108 0.1208 0.1183
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0029 0.0221 0.052
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0019 0.0095 0.0067
Brugia malayi conserved hypotetical protein 0.0014 0.0028 0.0075
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0086 0.0109
Brugia malayi nuclear receptor NHR-88 0.0029 0.0221 0.0591
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0221 0.0591
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0678 1
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.029 0.4268
Brugia malayi beta-lactamase family protein 0.0035 0.029 0.0774
Schistosoma mansoni ap endonuclease 0.0023 0.0139 0.0207
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0015 0.0049 0.0039
Brugia malayi ecdysteroid receptor 0.0029 0.0221 0.0591
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.029 0.2801
Brugia malayi hypothetical protein 0.0014 0.0028 0.0075
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.029 0.5289
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0049 0.013
Echinococcus multilocularis geminin 0.0195 0.2297 0.2275
Brugia malayi nuclear receptor RXR 0.0014 0.0028 0.0075
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0139 0.0371
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.029 0.0705
Schistosoma mansoni thyroid hormone receptor 0.0029 0.0221 0.036
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0139 0.0111
Echinococcus granulosus dnaJ subfamily B 0.0443 0.5396 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0139 0.1781
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0015 0.0049 0.0056
Schistosoma mansoni hypothetical protein 0.0195 0.2297 0.4226
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0029 0.0221 0.0194
Mycobacterium ulcerans hypothetical protein 0.0035 0.029 0.2801
Schistosoma mansoni cpg binding protein 0.0035 0.0292 0.0493
Loa Loa (eye worm) hypothetical protein 0.0077 0.0813 0.2111
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.029 0.0605
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0063 0.0095
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0029 0.0221 0.0591
Echinococcus multilocularis zinc finger protein 0.0023 0.0143 0.0115
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0507 0.0892
Brugia malayi Calcitonin receptor-like protein seb-1 0.0057 0.0574 0.1531
Schistosoma mansoni retinoic acid receptor RXR 0.0029 0.0221 0.036
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.029 0.0605
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0029 0.0221 0.052
Brugia malayi nuclear receptor NHR-88 0.0014 0.0028 0.0075
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0051 0.0493 1
Echinococcus granulosus zinc finger protein 0.0023 0.0143 0.0214
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.2633 1
Loa Loa (eye worm) hypothetical protein 0.0042 0.0375 0.0933
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0029 0.0221 0.036
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0029 0.0221 0.0591
Echinococcus multilocularis dnaJ subfamily B 0.0443 0.5396 0.5383
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0546 0.0519
Loa Loa (eye worm) hypothetical protein 0.0035 0.029 0.0705
Echinococcus multilocularis survival motor neuron protein 1 0.0256 0.3059 0.3039
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0221 0.036
Loa Loa (eye worm) hypothetical protein 0.0015 0.0049 0.0056
Mycobacterium leprae conserved hypothetical protein 0.0035 0.029 0.5
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0108 0.1208 0.2198
Mycobacterium ulcerans beta-lactamase 0.0035 0.029 0.2801
Loa Loa (eye worm) hypothetical protein 0.0015 0.0043 0.004
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0043 0.0028
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0066 0.0681 0.1215
Echinococcus granulosus mitogen activated protein kinase 0.0051 0.0493 0.0866
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0029 0.0221 0.0591
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0108 0.1208 0.2198
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0029 0.0221 0.036
Brugia malayi Nuclear hormone receptor E75 0.0014 0.0028 0.0075
Brugia malayi steroid hormone receptor 0.0029 0.0221 0.0591
Loa Loa (eye worm) PHD-finger family protein 0.0022 0.0135 0.0287
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0083 0.0055
Onchocerca volvulus 0.0031 0.0244 0.4491
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0029 0.0221 0.036
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0014 0.0028 0.0075
Echinococcus multilocularis muscleblind protein 0.0311 0.3748 0.373
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0039 0.0342 0.0585
Echinococcus granulosus lamin 0.0031 0.0244 0.0402
Loa Loa (eye worm) intermediate filament protein 0.0031 0.0244 0.058
Schistosoma mansoni hypothetical protein 0.0017 0.0063 0.0064
Loa Loa (eye worm) hypothetical protein 0.0029 0.0221 0.052
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.029 0.0488
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0029 0.0221 0.0591
Brugia malayi tailless protein 0.0014 0.0028 0.0075
Brugia malayi Nuclear hormone receptor-like 1 0.0015 0.0049 0.013
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0139 0.1246
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0029 0.0221 0.0591
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0051 0.0493 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.029 0.0705
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0029 0.0221 0.0591
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0678 0.1211
Echinococcus multilocularis mitogen activated protein kinase 3 0.0051 0.0493 0.0466
Mycobacterium ulcerans aldehyde dehydrogenase 0.0066 0.0678 1
Loa Loa (eye worm) hypothetical protein 0.0311 0.3748 1
Echinococcus granulosus methyl CpG binding domain protein 2 0.0018 0.0086 0.0109
Schistosoma mansoni methyl-cpg binding protein mbd 0.0018 0.0086 0.0109
Leishmania major hypothetical protein, conserved 0.0035 0.029 0.3698
Brugia malayi hypothetical protein 0.0015 0.0049 0.013
Brugia malayi MAP kinase sur-1 0.0051 0.0493 0.1315
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0546 0.0964
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0029 0.0221 0.0591
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0546 0.1456
Mycobacterium tuberculosis Conserved protein 0.0035 0.029 0.0605
Echinococcus granulosus cpg binding protein 0.0035 0.0292 0.0493
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0029 0.0221 0.036
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.029 0.0605
Loa Loa (eye worm) hypothetical protein 0.0035 0.029 0.0705
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0029 0.0221 0.0591
Echinococcus granulosus GPCR family 2 0.0018 0.0083 0.0102
Trypanosoma brucei protein kinase, putative 0.0051 0.0493 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.029 0.4268
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0139 0.1781
Echinococcus multilocularis musashi 0.0031 0.0244 0.0216
Schistosoma mansoni hypothetical protein 0.0018 0.0083 0.0102
Loa Loa (eye worm) hypothetical protein 0.0019 0.0095 0.018
Schistosoma mansoni zinc finger protein 0.0023 0.0143 0.0214
Schistosoma mansoni bromodomain containing protein 0.007 0.0735 0.1316
Brugia malayi nuclear hormone receptor 0.0029 0.0221 0.0591
Brugia malayi photoreceptor-specific nuclear receptor 0.0029 0.0221 0.0591
Echinococcus granulosus fetal alzheimer antigen falz 0.0026 0.0183 0.0288
Mycobacterium ulcerans lipase LipD 0.0035 0.029 0.2801
Echinococcus multilocularis FTZ F1 alpha 0.0108 0.1208 0.1183
Brugia malayi Steroid receptor seven-up type 2 0.0029 0.0221 0.0591
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0139 0.0299
Echinococcus granulosus mitogen activated protein kinase 3 0.0051 0.0493 0.0866
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0546 0.0964
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0029 0.0221 0.036
Onchocerca volvulus 0.0031 0.0244 0.4491
Brugia malayi nuclear hormone receptor family member odr-7 0.0014 0.0028 0.0075
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0083 0.0055
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0083 0.022
Schistosoma mansoni lamin 0.0031 0.0244 0.0402
Echinococcus granulosus survival motor neuron protein 1 0.0256 0.3059 0.5646
Toxoplasma gondii aldehyde dehydrogenase 0.0066 0.0678 1
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0139 0.5
Loa Loa (eye worm) hypothetical protein 0.0015 0.0049 0.0056
Echinococcus granulosus lamin dm0 0.0031 0.0244 0.0402
Schistosoma mansoni serine/threonine protein kinase 0.0051 0.0493 0.0866
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0546 0.1392
Loa Loa (eye worm) hypothetical protein 0.0035 0.029 0.0705
Loa Loa (eye worm) hypothetical protein 0.0015 0.0049 0.0056
Loa Loa (eye worm) hypothetical protein 0.0029 0.0221 0.052
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0066 0.0686 0.066
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0029 0.0221 0.036
Echinococcus granulosus muscleblind protein 0.0311 0.3748 0.6929
Loa Loa (eye worm) hypothetical protein 0.0031 0.0237 0.0561
Echinococcus multilocularis tumor protein p63 0.0356 0.4307 0.4292
Schistosoma mansoni hypothetical protein 0.0195 0.2297 0.4226
Schistosoma mansoni RAR-like nuclear receptor 0.0029 0.0221 0.036
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.029 0.5289
Brugia malayi beta-lactamase 0.0035 0.029 0.0774
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0546 0.0964
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0083 0.022
Schistosoma mansoni coup transcription factor 0.0029 0.0221 0.036
Onchocerca volvulus 0.0035 0.029 0.5452
Trichomonas vaginalis esterase, putative 0.0035 0.029 0.4268
Brugia malayi nuclear hormone receptor 0.0014 0.0028 0.0075
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0029 0.0221 0.036
Schistosoma mansoni steroid hormone receptor ad4bp 0.0029 0.0221 0.036
Onchocerca volvulus 0.0052 0.0507 0.9964
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.029 0.0263
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0139 0.5
Mycobacterium leprae Probable lipase LipE 0.0035 0.029 0.5
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0029 0.0221 0.0591
Loa Loa (eye worm) hypothetical protein 0.0035 0.029 0.0705
Brugia malayi hypothetical protein 0.0015 0.0049 0.013
Loa Loa (eye worm) hypothetical protein 0.0048 0.0455 0.1149
Brugia malayi hypothetical protein 0.0014 0.0028 0.0075
Echinococcus multilocularis mitogen activated protein kinase 0.0051 0.0493 0.0466
Loa Loa (eye worm) hypothetical protein 0.0015 0.0049 0.0056
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.029 0.4268
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0029 0.0221 0.0194
Loa Loa (eye worm) hypothetical protein 0.0057 0.0574 0.1467
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.029 0.2801
Echinococcus granulosus ecdysone induced protein 78C 0.0029 0.0221 0.036
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0066 0.0678 0.0652
Brugia malayi beta-lactamase family protein 0.0035 0.029 0.0774
Brugia malayi nuclear receptor NHR-67 0.0014 0.0028 0.0075
Brugia malayi nuclear hormone receptor family member nhr-6 0.0014 0.0028 0.0075
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0029 0.0221 0.0194
Schistosoma mansoni aldehyde dehydrogenase 0.0066 0.0678 0.1211
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0029 0.0221 0.052
Echinococcus granulosus intermediate filament protein 0.0031 0.0244 0.0402
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0018 0.0086 0.0058
Loa Loa (eye worm) hypothetical protein 0.0014 0.0036 0.0021

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (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) 39.8107 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ] 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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