Detailed information for compound 1425351

Basic information

Technical information
  • TDR Targets ID: 1425351
  • Name: T5566440
  • MW: 478.004 | Formula: C23H28ClN3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.6 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1ccc(cc1)N1CCN(CC1)C(=O)c1ccc(c(c1)S(=O)(=O)N1CCCCCC1)Cl
  • InChi: 1S/C23H28ClN3O4S/c24-21-10-5-18(17-22(21)32(30,31)27-11-3-1-2-4-12-27)23(29)26-15-13-25(14-16-26)19-6-8-20(28)9-7-19/h5-10,17,28H,1-4,11-16H2
  • InChiKey: OLMRSRJOQSVIGH-UHFFFAOYSA-N  

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens euchromatic histone-lysine N-methyltransferase 2 Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens glucagon-like peptide 1 receptor Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
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 japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Onchocerca volvulus Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Pre-SET motif family protein Get druggable targets OG5_131470 All targets in OG5_131470
Loa Loa (eye worm) pre-SET domain-containing protein family protein Get druggable targets OG5_131470 All targets in OG5_131470
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 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
Trichomonas vaginalis set domain proteins, putative Get druggable targets OG5_131470 All targets in OG5_131470
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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 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
Loa Loa (eye worm) pigment dispersing factor receptor c glucagon-like peptide 1 receptor 463 aa 388 aa 25.8 %
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
Echinococcus multilocularis geminin 0.0172 0.1122 0.1119
Brugia malayi Heterochromatin protein 1 0.0071 0.0403 0.04
Leishmania major leucyl-tRNA synthetase, putative 0.0023 0.006 0.1157
Leishmania major glycerol uptake protein, putative 0.0021 0.0047 0.0879
Onchocerca volvulus Huntingtin homolog 0.0122 0.0768 0.2148
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0031 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0679 0.35
Toxoplasma gondii tRNA ligases class I (M) protein 0.0023 0.006 0.0594
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.0373 0.1924
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0679 0.35
Schistosoma mansoni hypothetical protein 0.0018 0.0023 0.0019
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.0047 0.0043
Brugia malayi Bromodomain containing protein 0.0039 0.0173 0.0169
Echinococcus granulosus thioredoxin glutathione reductase 0.0048 0.0236 0.0232
Brugia malayi GNT-I family protein 0.0108 0.0666 0.0662
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0031 0.0027
Echinococcus multilocularis sterol O acyltransferase 1 0.0021 0.0047 0.0043
Brugia malayi methionyl-tRNA synthetase 0.0023 0.006 0.0056
Echinococcus granulosus chromobox protein 1 0.0071 0.0403 0.04
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0037 0.0157 0.1833
Mycobacterium leprae conserved hypothetical protein 0.0077 0.0442 0.2674
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0403 0.2078
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0013 0.0155
Trichomonas vaginalis conserved hypothetical protein 0.004 0.018 0.0928
Echinococcus granulosus methionine tRNA synthetase 0.006 0.0326 0.0323
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0019 0.0028 0.047
Toxoplasma gondii dgat2l1-prov protein 0.0081 0.0471 0.5833
Brugia malayi chromobox protein homolog 3 0.004 0.018 0.0176
Mycobacterium ulcerans leucyl-tRNA synthetase 0.0023 0.006 0.1086
Wolbachia endosymbiont of Brugia malayi methionyl-tRNA synthetase 0.006 0.0326 1
Trichomonas vaginalis set domain proteins, putative 0.0287 0.1941 1
Loa Loa (eye worm) membrane bound O-acyltransferase domain containing 1 0.0021 0.0047 0.0043
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0025 0.007 0.0066
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0241 0.1615 0.1612
Echinococcus granulosus alpha 13 mannosyl glycoprotein 0.0108 0.0666 0.0662
Schistosoma mansoni sterol O-acyltransferase 1 0.0021 0.0047 0.0043
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.0047 0.0043
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0241 0.1615 0.1612
Loa Loa (eye worm) hypothetical protein 0.0108 0.0666 0.0662
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0017 0.0013 0.0155
Echinococcus multilocularis chromobox protein 1 0.0071 0.0403 0.04
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0072 0.041 0.0406
Brugia malayi exodeoxyribonuclease III family protein 0.0019 0.0028 0.0024
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0109 0.0672 0.1952
Chlamydia trachomatis leucine--tRNA ligase 0.0023 0.006 1
Leishmania major diacylglycerol acyltransferase, putative 0.0018 0.0023 0.0359
Loa Loa (eye worm) MBOAT family protein 0.0021 0.0047 0.0043
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0252 0.1693 0.169
Mycobacterium tuberculosis Probable lipase LipE 0.0077 0.0442 0.127
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0241 0.1615 0.1612
Schistosoma mansoni zinc finger protein 0.0021 0.0047 0.0043
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0442 0.9384
Mycobacterium ulcerans lipase LipD 0.0077 0.0442 1
Loa Loa (eye worm) hypothetical protein 0.0041 0.019 0.0186
Schistosoma mansoni alpha-13-mannosyl-glycoprotein beta-1 2-n-acetylglucosaminyltransferase 0.0108 0.0666 0.0662
Entamoeba histolytica hypothetical protein 0.0072 0.041 1
Plasmodium vivax methionine--tRNA ligase, putative 0.006 0.0326 0.3993
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0241 0.1615 0.1612
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0189 0.0185
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0031 0.0027
Treponema pallidum methionyl-tRNA synthetase 0.0023 0.006 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0031 0.0027
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0062 0.0339 0.0335
Loa Loa (eye worm) hypothetical protein 0.0054 0.0281 0.0277
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0019 0.0028 0.047
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0025 0.0128
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0047 0.0242
Leishmania major glycerol uptake protein, putative 0.0021 0.0047 0.0879
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0031 0.0027
Plasmodium vivax diacylglycerol O-acyltransferase, putative 0.0126 0.0797 1
Leishmania major glycerol uptake protein, putative 0.0021 0.0047 0.0879
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0013 0.0155
Schistosoma mansoni hypothetical protein 0.0408 0.2807 0.2804
Loa Loa (eye worm) hypothetical protein 0.0072 0.0407 0.0404
Echinococcus granulosus lysophospholipid acyltransferase 7 0.0021 0.0047 0.0043
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0019 0.0028 0.0343
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0442 0.2277
Schistosoma mansoni zinc finger protein 0.0021 0.0049 0.0045
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0019 0.0028 0.0472
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0025 0.0128
Onchocerca volvulus 0.0491 0.3401 1
Toxoplasma gondii Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase 0.0037 0.0157 0.1829
Echinococcus multilocularis alpha 1,6 mannosyl glycoprotein 0.1416 1 1
Plasmodium vivax SET domain protein, putative 0.0037 0.0157 0.1833
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0126 0.0797 0.0794
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0019 0.0015
Mycobacterium ulcerans hypothetical protein 0.0077 0.0442 1
Echinococcus multilocularis membrane bound acyltransferase:hhat 0.0021 0.0047 0.0043
Schistosoma mansoni hypothetical protein 0.0019 0.0031 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0679 0.35
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0062 0.0339 0.0335
Loa Loa (eye worm) hhat protein 0.0021 0.0047 0.0043
Schistosoma mansoni hypothetical protein 0.0016 0.0006 0.0002
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0018 0.0023 0.0359
Mycobacterium tuberculosis Methionyl-tRNA synthetase MetS (MetRS) (methionine--tRNA ligase) 0.006 0.0326 0.0928
Loa Loa (eye worm) latrophilin receptor protein 2 0.0019 0.0031 0.0027
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.0018 0.0023 0.0359
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0025 0.0128
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0.0047 0.0495
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0679 0.35
Trichomonas vaginalis chromobox protein, putative 0.0071 0.0403 0.2078
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0013 0.0155
Mycobacterium tuberculosis Probable reductase 0.0109 0.0672 0.1952
Mycobacterium tuberculosis Conserved protein 0.0077 0.0442 0.127
Entamoeba histolytica hypothetical protein 0.0021 0.0047 0.0495
Trypanosoma brucei trypanothione reductase 0.0048 0.0236 0.4945
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0077 0.0442 0.127
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.0047 0.0043
Loa Loa (eye worm) hypothetical protein 0.006 0.0325 0.0321
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0017 0.0013 0.0009
Mycobacterium tuberculosis Probable esterase LipL 0.0077 0.0442 0.127
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0019 0.0015
Brugia malayi MBOAT family protein 0.0021 0.0047 0.0043
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0018 0.0023 0.0359
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0062 0.0338 0.0335
Trichomonas vaginalis methionine-tRNA synthetase, putative 0.006 0.0326 0.1682
Plasmodium falciparum methionine--tRNA ligase 0.006 0.0326 0.3993
Schistosoma mansoni hypothetical protein 0.0172 0.1122 0.1119
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0013 0.0155
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0019 0.0028 0.0024
Schistosoma mansoni hypothetical protein 0.0172 0.1122 0.1119
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0013 0.0155
Schistosoma mansoni ap endonuclease 0.0019 0.0028 0.0024
Leishmania major methionyl-tRNA synthetase, putative 0.006 0.0326 0.6895
Trypanosoma brucei methionyl-tRNA synthetase, putative 0.006 0.0326 0.6895
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0017 0.0013 0.0155
Echinococcus granulosus cpg binding protein 0.0032 0.0125 0.0121
Brugia malayi glutathione reductase 0.0048 0.0236 0.0232
Mycobacterium tuberculosis Probable hydrolase 0.0077 0.0442 0.127
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0017 0.0013 0.0155
Plasmodium vivax methionine--tRNA ligase, putative 0.0023 0.006 0.0594
Wolbachia endosymbiont of Brugia malayi leucyl-tRNA synthetase 0.0023 0.006 0.1487
Echinococcus granulosus protein cysteine N palmitoyltransferase 0.0021 0.0047 0.0043
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0054 0.0281 0.0277
Schistosoma mansoni diacylglycerol O-acyltransferase 1 0.0081 0.0471 0.0467
Echinococcus multilocularis zinc finger protein 0.0021 0.0049 0.0045
Brugia malayi Pax transcription factor protein 2 0.0491 0.3401 0.3398
Loa Loa (eye worm) hypothetical protein 0.0041 0.0189 0.0185
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0019 0.0015
Echinococcus multilocularis Membrane bound O acyl transferase, MBOAT 0.0021 0.0047 0.0043
Brugia malayi PHD-finger family protein 0.0027 0.0087 0.0083
Treponema pallidum alginate O-acetylation protein (algI) 0.0021 0.0047 0.7222
Echinococcus granulosus zinc finger transcription factor gli2 0.0306 0.2077 0.2074
Schistosoma mansoni chromobox protein 0.0071 0.0403 0.04
Brugia malayi MBOAT family protein 0.0021 0.0047 0.0043
Plasmodium falciparum thioredoxin reductase 0.0048 0.0236 0.2838
Toxoplasma gondii thioredoxin reductase 0.0048 0.0236 0.2838
Trypanosoma cruzi methionyl-tRNA synthetase, putative 0.006 0.0326 0.6895
Loa Loa (eye worm) hypothetical protein 0.0031 0.0119 0.0115
Treponema pallidum exodeoxyribonuclease (exoA) 0.0019 0.0028 0.3159
Schistosoma mansoni cpg binding protein 0.0032 0.0125 0.0121
Schistosoma mansoni o-acyltransferase (membrane bound) domain containing protein 0.0021 0.0047 0.0043
Loa Loa (eye worm) beta-lactamase 0.0077 0.0442 0.0438
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0019 0.0015
Echinococcus granulosus sterol O acyltransferase 1 0.0021 0.0047 0.0043
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0077 0.0442 1
Entamoeba histolytica vacuolar protein sorting 26 0.0021 0.0047 0.0495
Schistosoma mansoni methionine-tRNA synthetase 0.0023 0.006 0.0056
Trypanosoma cruzi trypanothione reductase, putative 0.0048 0.0236 0.4945
Brugia malayi beta-lactamase family protein 0.0077 0.0442 0.0438
Schistosoma mansoni leucyl-tRNA synthetase 0.0023 0.006 0.0056
Echinococcus granulosus fetal alzheimer antigen falz 0.0025 0.007 0.0066
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0015 0.0003 0.0017
Leishmania major trypanothione reductase 0.0048 0.0236 0.4945
Loa Loa (eye worm) methionyl-tRNA synthetase 0.006 0.0326 0.0323
Trypanosoma brucei glycerol uptake protein, putative 0.0021 0.0047 0.0879
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0017 0.0013 0.0155
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0028 0.0188
Chlamydia trachomatis methionine--tRNA ligase 0.0023 0.006 1
Echinococcus multilocularis methionine tRNA synthetase 0.006 0.0326 0.0323
Trichomonas vaginalis conserved hypothetical protein 0.0015 0.0003 0.0017
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0081 0.0471 1
Brugia malayi diacylglycerol acyltransferase family protein 0.0081 0.0471 0.0467
Loa Loa (eye worm) hypothetical protein 0.0019 0.0031 0.0027
Trypanosoma brucei diacylglycerol acyltransferase, putative 0.0081 0.0471 1
Echinococcus multilocularis diacylglycerol O acyltransferase 1 0.0126 0.0797 0.0794
Brugia malayi Zinc finger, C2H2 type family protein 0.0306 0.2077 0.2074
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0031 0.0027
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0679 0.35
Schistosoma mansoni membrane-bound acyltransferase/hhat 0.0021 0.0047 0.0043
Echinococcus granulosus beta LACTamase domain containing family member 0.0077 0.0442 0.0438
Schistosoma mansoni diacylglycerol O-acyltransferase 0.0018 0.0023 0.0019
Schistosoma mansoni leukocyte receptor cluster (lrc) member 4 protein 0.0021 0.0047 0.0043
Brugia malayi Bromodomain containing protein 0.0078 0.045 0.0446
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0241 0.1615 0.1612
Loa Loa (eye worm) hypothetical protein 0.0077 0.0442 0.0438
Trypanosoma cruzi glycerol uptake protein, putative 0.0021 0.0047 0.0879
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.0156 0.0152
Trichomonas vaginalis esterase, putative 0.0077 0.0442 0.2277
Toxoplasma gondii acyl-CoA:diacylglycerol acyltransferase 1-related enzyme 0.0126 0.0797 1
Onchocerca volvulus 0.0081 0.0471 0.1263
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0077 0.0442 0.127
Onchocerca volvulus 0.0048 0.024 0.0576
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0028 0.0145
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0.0047 0.0495
Mycobacterium ulcerans hypothetical protein 0.0018 0.0023 0.0221
Trichomonas vaginalis glutathione reductase, putative 0.0017 0.0013 0.0069
Mycobacterium tuberculosis Conserved protein 0.0077 0.0442 0.127
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.0043
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.0043
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.01 0.0096
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0077 0.0442 0.0438
Schistosoma mansoni hypothetical protein 0.0021 0.0045 0.0041
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0077 0.0442 0.127
Loa Loa (eye worm) hypothetical protein 0.0122 0.0768 0.0764
Schistosoma mansoni methionine-tRNA synthetase 0.006 0.0326 0.0323
Echinococcus multilocularis methionyl tRNA synthetase, cytoplasmic 0.0023 0.006 0.0056
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0442 0.2277
Echinococcus multilocularis chromobox protein 1 0.0071 0.0403 0.04
Trypanosoma cruzi GUP1, putative 0.0021 0.0047 0.0879
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0679 0.35
Mycobacterium ulcerans esterase/lipase LipP 0.0077 0.0442 1
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0047 0.0242
Loa Loa (eye worm) hypothetical protein 0.0045 0.0216 0.0212
Loa Loa (eye worm) hypothetical protein 0.0077 0.0442 0.0438
Toxoplasma gondii histone lysine methyltransferase SET1 0.0058 0.0309 0.3775
Onchocerca volvulus 0.0287 0.1941 0.5647
Echinococcus granulosus dnaJ subfamily B 0.0408 0.2807 0.2804
Onchocerca volvulus 0.0077 0.0442 0.1178
Loa Loa (eye worm) hypothetical protein 0.0077 0.0442 0.0438
Leishmania major diacylglycerol acyltransferase, putative 0.0081 0.0471 1
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0025 0.0128
Toxoplasma gondii methionyl-tRNA synthetase 0.006 0.0326 0.3993
Schistosoma mansoni diacylglycerol O-acyltransferase 0.0018 0.0023 0.0019
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0048 0.024 0.0236
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0281 0.0277
Loa Loa (eye worm) hypothetical protein 0.0077 0.0442 0.0438
Brugia malayi Hhat protein 0.0021 0.0047 0.0043
Plasmodium falciparum glutathione reductase 0.0048 0.0236 0.2838
Leishmania major hypothetical protein, conserved 0.0021 0.0047 0.0879
Onchocerca volvulus 0.0029 0.01 0.0158
Plasmodium falciparum diacylglycerol O-acyltransferase 0.0126 0.0797 1
Toxoplasma gondii hypothetical protein 0.0021 0.0047 0.0429
Onchocerca volvulus Heterochromatin protein 1 homolog 0.004 0.018 0.0397
Schistosoma mansoni hypothetical protein 0.0072 0.041 0.0406
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0018 0.0023 0.0359
Echinococcus granulosus GPCR family 2 0.0019 0.0031 0.0027
Schistosoma mansoni hypothetical protein 0.0019 0.0031 0.0027
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0241 0.1615 0.1612
Brugia malayi beta-lactamase family protein 0.0077 0.0442 0.0438
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0126 0.0797 0.0794
Echinococcus granulosus membrane bound acyltransferase:hhat 0.0021 0.0047 0.0043
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0013 0.0155
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0097 0.05
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.0325 0.0321
Brugia malayi methionyl-tRNA synthetase 0.006 0.0326 0.0323
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0019 0.0028 0.0024
Echinococcus granulosus histone lysine methyltransferase setb 0.0054 0.0281 0.0277
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0442 0.2277
Onchocerca volvulus 0.0031 0.0119 0.0214
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0013 0.0155
Loa Loa (eye worm) hypothetical protein 0.0108 0.0666 0.0662
Loa Loa (eye worm) heterochromatin protein 1 0.0071 0.0403 0.04
Toxoplasma gondii acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha 0.0126 0.0797 1
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0025 0.007 0.0066
Loa Loa (eye worm) hypothetical protein 0.0105 0.0646 0.0642
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.0047 0.0043
Toxoplasma gondii ABC1 family protein 0.0077 0.0442 0.5467
Schistosoma mansoni bromodomain containing protein 0.0066 0.0365 0.0361
Loa Loa (eye worm) hypothetical protein 0.004 0.018 0.0176
Giardia lamblia Leucyl-tRNA synthetase 0.0023 0.006 0.1487
Brugia malayi CXXC zinc finger family protein 0.0029 0.01 0.0096
Echinococcus granulosus zinc finger protein 0.0021 0.0049 0.0045
Echinococcus multilocularis thioredoxin glutathione reductase 0.0048 0.0236 0.0232
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0056
Trichomonas vaginalis conserved hypothetical protein 0.004 0.018 0.0928
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0109 0.0672 0.1952
Giardia lamblia Methionyl-tRNA synthetase 0.006 0.0326 1
Schistosoma mansoni hypothetical protein 0.0019 0.0031 0.0027
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0241 0.1615 0.1612
Trypanosoma cruzi hypothetical protein, conserved 0.0077 0.0442 0.9384
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0037 0.0157 0.0153
Echinococcus multilocularis GPCR, family 2 0.0019 0.0031 0.0027
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0048 0.0236 0.0659
Trichomonas vaginalis conserved hypothetical protein 0.0028 0.0097 0.05
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0047 0.0242
Loa Loa (eye worm) MBOAT family protein 0.0021 0.0047 0.0043
Brugia malayi Thioredoxin reductase 0.0048 0.0236 0.0232
Trichomonas vaginalis penicillin-binding protein, putative 0.0077 0.0442 0.2277
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.0043
Trichomonas vaginalis porcupine, putative 0.0021 0.0047 0.0242
Loa Loa (eye worm) tyrosyl-tRNA synthetase 0.0037 0.0162 0.0158
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0442 0.0438
Loa Loa (eye worm) hypothetical protein 0.0122 0.0768 0.0764
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0489 0.3388 1
Brugia malayi protein ZK524.3 0.0023 0.006 0.0056
Entamoeba histolytica methionyl-tRNA synthetase, putative 0.0023 0.006 0.0834
Leishmania major glycerol uptake protein, putative 0.0021 0.0047 0.0879
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0241 0.1615 0.1612
Schistosoma mansoni transcription factor LCR-F1 0.0072 0.041 0.0406
Brugia malayi MBOAT family protein 0.0021 0.0047 0.0043
Mycobacterium ulcerans methionyl-tRNA synthetase 0.006 0.0326 0.7303
Brugia malayi Pre-SET motif family protein 0.0037 0.0157 0.0153
Loa Loa (eye worm) hypothetical protein 0.1416 1 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0121 0.0759 0.2209
Loa Loa (eye worm) bromodomain containing protein 0.0018 0.0023 0.0019
Loa Loa (eye worm) hypothetical protein 0.0077 0.0442 0.0438
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0025 0.0128
Plasmodium vivax thioredoxin reductase, putative 0.0048 0.0236 0.2838
Loa Loa (eye worm) glutathione reductase 0.0048 0.0236 0.0232
Entamoeba histolytica hypothetical protein 0.0072 0.041 1
Trypanosoma cruzi trypanothione reductase, putative 0.0017 0.0013 0.0155
Loa Loa (eye worm) diacylglycerol acyltransferase 0.0081 0.0471 0.0467
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0017 0.0013 0.0155
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0121 0.0759 1
Schistosoma mansoni ap endonuclease 0.0019 0.0028 0.0024
Loa Loa (eye worm) hypothetical protein 0.0039 0.0173 0.0169
Echinococcus multilocularis beta LACTamase domain containing family member 0.0077 0.0442 0.0438
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.0047 0.0043
Loa Loa (eye worm) hypothetical protein 0.0023 0.006 0.0056
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0241 0.1615 0.1612
Entamoeba histolytica hypothetical protein 0.0072 0.041 1
Echinococcus multilocularis leucyl tRNA synthetase 0.0023 0.006 0.0056
Mycobacterium leprae Probable lipase LipE 0.0077 0.0442 0.2674
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0072 0.041 0.0406
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0018 0.0025 0.0128
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0035 0.0143 0.0139
Treponema pallidum leucyl-tRNA synthetase 0.0023 0.006 1
Schistosoma mansoni cpg binding protein 0.0029 0.01 0.0096
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0025 0.0128
Schistosoma mansoni chromobox protein 0.0071 0.0403 0.04
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0202 0.104
Leishmania major glycerol uptake protein, putative 0.0021 0.0047 0.0879
Leishmania major hypothetical protein, conserved 0.0077 0.0442 0.9384
Onchocerca volvulus 0.0077 0.0442 0.1178
Mycobacterium tuberculosis Probable lipase LipD 0.0077 0.0442 0.127
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0077 0.0442 0.0438
Echinococcus granulosus chromobox protein 1 0.0071 0.0403 0.04
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.0047 0.0043
Onchocerca volvulus Huntingtin homolog 0.0122 0.0768 0.2148
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0017 0.0013 0.0009
Echinococcus multilocularis lysophospholipid acyltransferase 7 0.0021 0.0047 0.0043
Echinococcus granulosus geminin 0.0172 0.1122 0.1119
Echinococcus multilocularis dnaJ subfamily B 0.0408 0.2807 0.2804
Trichomonas vaginalis mercuric reductase, putative 0.0017 0.0013 0.0069
Onchocerca volvulus 0.0037 0.0162 0.0343
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0109 0.0672 0.1952
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0043 0.0202 0.0462
Loa Loa (eye worm) hypothetical protein 0.0077 0.0442 0.0438
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0019 0.0028 0.0188
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0018 0.0025 0.0128
Leishmania major hypothetical protein, unknown function,protein, unknown function 0.0018 0.0023 0.0359
Trypanosoma cruzi glycerol uptake protein, putative 0.0021 0.0047 0.0879
Toxoplasma gondii mono- or diacylglycerol acyltransferase 0.0018 0.0023 0.0121
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0017 0.0013 0.0155
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0109 0.0672 0.1952
Trypanosoma brucei hypothetical protein, conserved 0.0077 0.0442 0.9384
Schistosoma mansoni zinc finger protein 0.0016 0.0006 0.0002
Loa Loa (eye worm) hypothetical protein 0.0021 0.0047 0.0043
Trichomonas vaginalis D-aminoacylase, putative 0.0077 0.0442 0.2277
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0017 0.0013 0.0155
Loa Loa (eye worm) hypothetical protein 0.0037 0.0157 0.0153
Trichomonas vaginalis chromobox protein, putative 0.0043 0.0202 0.104
Entamoeba histolytica membrane-bound O-acyltransferase (MBOAT ) family protein 0.0021 0.0047 0.0495
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0019 0.0028 0.0472
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0037 0.0157 0.0153
Leishmania major diacylglycerol acyltransferase, putative 0.0018 0.0023 0.0359
Entamoeba histolytica hypothetical protein, conserved 0.0021 0.0047 0.0495
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.0156 0.0152
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0121 0.0759 0.2209
Echinococcus multilocularis protein cysteine N palmitoyltransferase 0.0021 0.0047 0.0043
Echinococcus granulosus diacylglycerol O acyltransferase 1 0.0126 0.0797 0.0794
Toxoplasma gondii diacylglycerol acyltransferase 0.0018 0.0023 0.0121
Schistosoma mansoni hypothetical protein 0.0021 0.0047 0.0043
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0018 0.0023 0.0359
Trypanosoma cruzi glycerol uptake protein, putative 0.0021 0.0047 0.0879
Echinococcus multilocularis o acyltransferase (membrane bound) domain 0.0021 0.0047 0.0043
Mycobacterium tuberculosis Probable dehydrogenase 0.0109 0.0672 0.1952
Brugia malayi diacylglycerol acyltransferase 0.0126 0.0797 0.0794
Trypanosoma cruzi GUP1, putative 0.0021 0.0047 0.0879
Schistosoma mansoni hypothetical protein 0.0041 0.0189 0.0185
Echinococcus granulosus alpha 16 mannosyl glycoprotein 0.1416 1 1
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0019 0.0028 0.0472
Loa Loa (eye worm) hhat protein 0.0021 0.0047 0.0043
Plasmodium vivax glutathione reductase, putative 0.0048 0.0236 0.2838
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0679 0.35
Trichomonas vaginalis conserved hypothetical protein 0.011 0.0679 0.35
Echinococcus granulosus methionyl tRNA synthetase cytoplasmic 0.0023 0.006 0.0056
Toxoplasma gondii exonuclease III APE 0.0019 0.0028 0.0188
Brugia malayi beta-lactamase 0.0077 0.0442 0.0438
Brugia malayi Pre-SET motif family protein 0.0252 0.1693 0.169
Mycobacterium ulcerans beta-lactamase 0.0077 0.0442 1
Mycobacterium tuberculosis Conserved protein 0.0077 0.0442 0.127
Plasmodium vivax hypothetical protein, conserved 0.0023 0.006 0.0594
Brugia malayi hypothetical protein 0.0122 0.0768 0.0764
Brugia malayi hypothetical protein 0.0072 0.041 0.0406
Echinococcus multilocularis zinc finger transcription factor gli2 0.0306 0.2077 0.2074
Echinococcus granulosus Membrane bound O acyl transferase MBOAT 0.0021 0.0047 0.0043
Plasmodium vivax hypothetical protein, conserved 0.0077 0.0442 0.5467
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0077 0.0442 0.0438
Entamoeba histolytica hypothetical protein 0.0072 0.041 1
Trichomonas vaginalis ap endonuclease, putative 0.0019 0.0028 0.0145
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0019 0.0028 0.0024
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0109 0.0672 0.7995
Trypanosoma brucei glycerol uptake protein, putative 0.0021 0.0047 0.0879
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.0325 0.0321
Loa Loa (eye worm) PHD-finger family protein 0.0021 0.0045 0.0041
Echinococcus multilocularis alpha 1,3 mannosyl glycoprotein 0.0108 0.0666 0.0662
Trichomonas vaginalis transmembrane protein nessy, putative 0.0021 0.0047 0.0242
Brugia malayi MBOAT family protein 0.0021 0.0047 0.0043
Plasmodium falciparum methionine--tRNA ligase, putative 0.0023 0.006 0.0594
Schistosoma mansoni beta-12-n-acetylglucosaminyltransferase II 0.1416 1 1
Mycobacterium tuberculosis Probable oxidoreductase 0.0121 0.0759 0.2209
Schistosoma mansoni hypothetical protein 0.0019 0.0031 0.0027
Toxoplasma gondii hypothetical protein 0.0043 0.0201 0.2397
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0013 0.0155
Loa Loa (eye worm) thioredoxin reductase 0.0048 0.0236 0.0232
Trypanosoma cruzi diacylglycerol acyltransferase, putative 0.0081 0.0471 1
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0017 0.0013 0.0009
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0017 0.0013 0.0155
Echinococcus multilocularis cpg binding protein 0.0032 0.0125 0.0121
Onchocerca volvulus 0.0077 0.0442 0.1178
Echinococcus granulosus o acyltransferase membrane bound domain 0.0021 0.0047 0.0043
Loa Loa (eye worm) pax transcription factor protein 2 0.0491 0.3401 0.3398
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0019 0.0028 0.0044
Loa Loa (eye worm) zinc finger protein 0.0306 0.2077 0.2074
Schistosoma mansoni cpg binding protein 0.0032 0.0125 0.0121
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.0325 0.0321
Brugia malayi MBOAT family protein 0.0021 0.0047 0.0043
Brugia malayi Glycosylation related protein 12, isoform 0.0037 0.0157 0.0153
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0019 0.0028 0.0472
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0054 0.0281 0.0277
Loa Loa (eye worm) MBOAT family protein 0.0021 0.0047 0.0043
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0017 0.0013 0.0009

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) 33.7 uM PubChem BioAssay. Discovery of small molecule inhibitors of the oncogenic and cytokinetic protein MgcRacGAP - Primary and Confirmatory Screens. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.7783 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 7.0795 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.6891 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) 13.1154 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) 17.7828 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 20.5878 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 23.1093 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 25.1189 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 35.4813 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
Potency (functional) 44.6684 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Schistosoma Mansoni Peroxiredoxins. (Class of assay: confirmatory) [Related pubchem assays: 1011 (Confirmation Concentration-Response Assay for Inhibitors of the Schistosoma mansoni Redox Cascade ), 448 (Schistosoma Mansoni Peroxiredoxins (Prx2) and thioredoxin glutathione reductase (TGR) coupled assay)] ChEMBL. No reference
Potency (functional) 89.1251 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Saccharomyces cerevisiae ChEMBL23
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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