Detailed information for compound 1286636

Basic information

Technical information
  • TDR Targets ID: 1286636
  • Name: 1-(3-chloro-4-methylphenyl)-3-[4-(3-methoxyph enyl)piperazin-1-yl]pyrrolidine-2,5-dione
  • MW: 413.897 | Formula: C22H24ClN3O3
  • H donors: 0 H acceptors: 2 LogP: 3.43 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: COc1cccc(c1)N1CCN(CC1)C1CC(=O)N(C1=O)c1ccc(c(c1)Cl)C
  • InChi: 1S/C22H24ClN3O3/c1-15-6-7-17(13-19(15)23)26-21(27)14-20(22(26)28)25-10-8-24(9-11-25)16-4-3-5-18(12-16)29-2/h3-7,12-13,20H,8-11,14H2,1-2H3
  • InChiKey: ARKHFMQWNSLVGD-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3-chloro-4-methyl-phenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-dione
  • 1-(3-chloro-4-methylphenyl)-3-[4-(3-methoxyphenyl)-1-piperazinyl]pyrrolidine-2,5-dione
  • 1-(3-chloro-4-methyl-phenyl)-3-[4-(3-methoxyphenyl)piperazin-1-yl]pyrrolidine-2,5-quinone
  • STK070124
  • AJ-292/41686170
  • MLS000037754
  • SMR000036411

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
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
Entamoeba histolytica hypothetical protein 0.0071 0.0312 0.0955
Mycobacterium tuberculosis Conserved protein 0.0043 0.0136 0.0272
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0046 0.0152 1
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0094 0.0455 0.2354
Loa Loa (eye worm) hypothetical protein 0.003 0.0052 0.0144
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.0715 0.068
Plasmodium vivax hypothetical protein, conserved 0.0043 0.0136 0.262
Schistosoma mansoni ap endonuclease 0.0037 0.0095 0.0111
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.0715 0.1321
Loa Loa (eye worm) hypothetical protein 0.0081 0.0374 0.1039
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0067 0.0287 0.025
Loa Loa (eye worm) hypothetical protein 0.0437 0.2645 0.7351
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.0136 0.0311
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.003 0.005 0.0013
Echinococcus granulosus chromobox protein 1 0.0069 0.0297 0.0506
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.018 0.054
Mycobacterium ulcerans lipase LipD 0.0043 0.0136 0.0128
Onchocerca volvulus 0.0041 0.0122 0.0272
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0307 0.1817 0.5048
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0297 0.0871
Toxoplasma gondii PHD-finger domain-containing protein 0.0087 0.0413 0.6461
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0136 0.0386
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0046 0.0152 0.3058
Onchocerca volvulus 0.0079 0.0365 0.1209
Mycobacterium ulcerans beta-lactamase 0.0043 0.0136 0.0128
Echinococcus granulosus histone lysine methyltransferase setb 0.0081 0.0374 0.0655
Echinococcus multilocularis peregrin 0.0094 0.0458 0.0421
Echinococcus granulosus mothers against decapentaplegic 5 0.004 0.0114 0.0148
Echinococcus granulosus fetal alzheimer antigen falz 0.0067 0.0287 0.0485
Schistosoma mansoni smad1 5 8 and 0.004 0.0114 0.0148
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0046 0.0152 0.5
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0523 0.3191 1
Brugia malayi glutathione reductase 0.0037 0.0094 0.0262
Plasmodium falciparum conserved Plasmodium membrane protein, unknown function 0.0028 0.004 0.006
Schistosoma mansoni hypothetical protein 0.0046 0.0149 0.0217
Loa Loa (eye worm) MH1 domain-containing protein 0.004 0.0114 0.0316
Echinococcus multilocularis PHD finger protein rhinoceros 0.0087 0.0413 0.0376
Schistosoma mansoni hypothetical protein 0.0833 0.5166 1
Mycobacterium leprae conserved hypothetical protein 0.0046 0.0152 0.0514
Loa Loa (eye worm) PHD-finger family protein 0.0061 0.025 0.0696
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0523 0.3191 1
Echinococcus granulosus GPCR family 2 0.0062 0.0255 0.0424
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0028 0.0038 0.0094
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0042 0.0015
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0136 0.0386
Brugia malayi RNA, U transporter 1 0.0082 0.0381 0.1058
Echinococcus granulosus snurportin 1 0.0307 0.1817 0.3469
Schistosoma mansoni hypothetical protein 0.0087 0.0413 0.0731
Brugia malayi Bromodomain containing protein 0.0094 0.0458 0.1272
Brugia malayi cytoplasmic intermediate filament protein 0.0043 0.013 0.0362
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0038 0.0103 0.0128
Trypanosoma brucei hypothetical protein, conserved 0.0046 0.0152 0.0364
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0051 0.0183 0.0145
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.0136 0.0128
Echinococcus granulosus TGF beta signal transducer SmadC 0.004 0.0114 0.0148
Schistosoma mansoni jumonji/arid domain-containing protein 0.0111 0.0565 0.1029
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.0618 0.1617
Plasmodium vivax hypothetical protein, conserved 0.0087 0.0413 1
Loa Loa (eye worm) hypothetical protein 0.0074 0.0333 0.0926
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0079 0.0365 0.1015
Loa Loa (eye worm) hypothetical protein 0.0043 0.0136 0.0378
Loa Loa (eye worm) hypothetical protein 0.0437 0.2645 0.7351
Mycobacterium ulcerans glutaminase 0.0545 0.3331 1
Toxoplasma gondii LsmAD domain-containing protein 0.0074 0.0333 0.5089
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0062 0.0255 0.0218
Loa Loa (eye worm) hypothetical protein 0.0127 0.0668 0.1856
Plasmodium falciparum importin beta, putative 0.0029 0.0042 0.0125
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.005 0.018 0.054
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0333 0.7877
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0523 0.3191 0.6149
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0033 0.0076
Loa Loa (eye worm) hypothetical protein 0.0197 0.1111 0.3088
Schistosoma mansoni hypothetical protein 0.0062 0.0255 0.0424
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.005 0.018 0.054
Echinococcus multilocularis microtubule associated protein 2 0.0678 0.4174 0.4152
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.0715 0.1321
Onchocerca volvulus 0.0079 0.0365 0.1209
Loa Loa (eye worm) hypothetical protein 0.0062 0.0255 0.0709
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0062 0.0255 0.0424
Brugia malayi MH1 domain containing protein 0.004 0.0114 0.0316
Plasmodium vivax importin-beta 2, putative 0.0029 0.0042 0.0125
Echinococcus multilocularis Smad4 0.004 0.0114 0.0076
Loa Loa (eye worm) glutaminase 2 0.0545 0.3331 0.9255
Brugia malayi Heterochromatin protein 1 0.0069 0.0297 0.0826
Loa Loa (eye worm) hypothetical protein 0.0029 0.0042 0.0118
Schistosoma mansoni chromobox protein 0.0069 0.0297 0.0506
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.0136 0.0128
Brugia malayi PHD-finger family protein 0.0074 0.0332 0.0921
Schistosoma mansoni hypothetical protein 0.0062 0.0255 0.0424
Loa Loa (eye worm) Smad1 0.004 0.0114 0.0316
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0084 0.0395 0.8125
Echinococcus multilocularis geminin 0.0833 0.5166 0.5148
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0071 0.0312 0.0534
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0134 0.0715 0.1987
Loa Loa (eye worm) heterochromatin protein 1 0.0069 0.0297 0.0826
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0095 0.0261
Entamoeba histolytica hypothetical protein 0.0071 0.0312 0.0955
Loa Loa (eye worm) hypothetical protein 0.0114 0.0587 0.1631
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0042 0.0005
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.0136 0.0378
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0095 0.1516
Onchocerca volvulus Huntingtin homolog 0.012 0.0622 0.22
Loa Loa (eye worm) hypothetical protein 0.0039 0.0105 0.0291
Mycobacterium tuberculosis Probable oxidoreductase 0.0094 0.0455 0.2354
Trichomonas vaginalis CMGC family protein kinase 0.005 0.018 0.0517
Brugia malayi jmjC domain containing protein 0.0028 0.0038 0.0105
Entamoeba histolytica hypothetical protein 0.0046 0.0152 0.0454
Echinococcus multilocularis transcription factor Dp 1 0.0303 0.1788 0.1757
Mycobacterium tuberculosis Probable reductase 0.0084 0.0395 0.1964
Echinococcus multilocularis snurportin 1 0.0307 0.1817 0.1786
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.0395 0.1964
Brugia malayi PHD-finger family protein 0.0087 0.0413 0.1147
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0037 0.0095 0.018
Onchocerca volvulus 0.0437 0.2645 1
Mycobacterium tuberculosis Probable hydrolase 0.0043 0.0136 0.0272
Brugia malayi hypothetical protein 0.012 0.0622 0.1729
Leishmania major hypothetical protein, conserved 0.0043 0.0136 0.0403
Loa Loa (eye worm) hypothetical protein 0.0149 0.0808 0.2246
Loa Loa (eye worm) hypothetical protein 0.012 0.0622 0.1729
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.0395 0.1964
Brugia malayi beta-lactamase family protein 0.0043 0.0136 0.0378
Brugia malayi Calcitonin receptor-like protein seb-1 0.0197 0.1111 0.3088
Schistosoma mansoni smad1 5 8 and 0.004 0.0114 0.0148
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.0136 0.0192
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0028 0.004 0.0007
Echinococcus granulosus importin subunit beta 1 0.0029 0.0042 0.0009
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.0395 0.1964
Brugia malayi hypothetical protein 0.0437 0.2645 0.7351
Echinococcus multilocularis mothers against decapentaplegic 5 0.004 0.0114 0.0076
Loa Loa (eye worm) hypothetical protein 0.0037 0.0094 0.0262
Loa Loa (eye worm) beta-lactamase 0.0043 0.0136 0.0378
Loa Loa (eye worm) hypothetical protein 0.0037 0.0094 0.0262
Schistosoma mansoni jumonji domain containing protein 0.0226 0.13 0.2461
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.0715 0.1321
Schistosoma mansoni jumonji/arid domain-containing protein 0.0111 0.0565 0.1029
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0043 0.013 0.0362
Loa Loa (eye worm) hypothetical protein 0.0043 0.0136 0.0378
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0119 0.0618 0.3415
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.005 0.018 0.054
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0034 0.0074 0.0036
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0119 0.0618 0.1917
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0041 0.0122 0.0164
Trichomonas vaginalis CMGC family protein kinase 0.005 0.018 0.0517
Schistosoma mansoni hypothetical protein 0.0833 0.5166 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0028 0.004 0.0039
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0105
Echinococcus granulosus transcription factor Dp 1 0.0303 0.1788 0.3413
Trichomonas vaginalis CMGC family protein kinase 0.005 0.018 0.0517
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0038 0.0105
Brugia malayi Bromodomain containing protein 0.0114 0.0585 0.1627
Mycobacterium tuberculosis Conserved protein 0.0043 0.0136 0.0272
Plasmodium vivax glutathione reductase, putative 0.0037 0.0094 0.1505
Leishmania major phosphopantetheinyl transferase-like protein 0.0046 0.0152 0.0454
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.1628 1
Schistosoma mansoni lamin 0.0079 0.0365 0.0639
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0062 0.0255 0.0424
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0046 0.0152 0.0179
Echinococcus granulosus smad 0.004 0.0114 0.0148
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0107 0.0541 0.098
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.0618 0.1131
Trypanosoma brucei PHD-zinc-finger like domain containing protein, putative 0.0028 0.004 0.0007
Echinococcus multilocularis lamin dm0 0.0079 0.0365 0.0329
Loa Loa (eye worm) hypothetical protein 0.0121 0.0632 0.1755
Echinococcus granulosus lamin dm0 0.0079 0.0365 0.0639
Schistosoma mansoni hypothetical protein 0.0033 0.0072 0.0066
Schistosoma mansoni chromobox protein 0.0069 0.0297 0.0506
Brugia malayi hypothetical protein 0.0071 0.0312 0.0867
Echinococcus granulosus Smad4 0.004 0.0114 0.0148
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0134 0.0715 0.068
Schistosoma mansoni zinc finger protein 0.0046 0.0149 0.0217
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0033 0.0072 0.0066
Plasmodium falciparum ataxin-2 like protein, putative 0.0074 0.0333 0.7877
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0136 0.0192
Schistosoma mansoni lamin 0.0079 0.0365 0.0639
Loa Loa (eye worm) jmjC domain-containing protein 0.0111 0.0565 0.1571
Schistosoma mansoni glutaminase 0.0545 0.3331 0.6421
Echinococcus multilocularis chromobox protein 1 0.0069 0.0297 0.0261
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0046 0.0152 0.3058
Trichomonas vaginalis ap endonuclease, putative 0.0037 0.0095 0.0261
Echinococcus granulosus intermediate filament protein 0.0079 0.0365 0.0639
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0037 0.0095 0.0111
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0038 0.0105
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.0618 0.1617
Loa Loa (eye worm) hypothetical protein 0.0043 0.0136 0.0378
Brugia malayi Importin beta-1 subunit 0.0029 0.0042 0.0118
Schistosoma mansoni hypothetical protein 0.0071 0.0312 0.0534
Loa Loa (eye worm) bromodomain containing protein 0.0053 0.0194 0.0539
Plasmodium vivax SET domain protein, putative 0.003 0.005 0.0337
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0523 0.3191 1
Echinococcus granulosus microtubule associated protein 2 0.0678 0.4174 0.8066
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0178 0.0991 0.1859
Brugia malayi beta-lactamase family protein 0.0043 0.0136 0.0378
Leishmania major hypothetical protein, conserved 0.0074 0.0333 0.1022
Onchocerca volvulus 0.0043 0.0136 0.0325
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0197 0.1111 0.3088
Brugia malayi Intermediate filament tail domain containing protein 0.0079 0.0365 0.1015
Loa Loa (eye worm) runx1 0.0055 0.0209 0.058
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0039 0.0105 0.0205
Trypanosoma cruzi PAB1-binding protein , putative 0.0074 0.0333 0.1022
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0042 0.0015
Brugia malayi chromobox protein homolog 3 0.0039 0.0105 0.0291
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0046 0.0152 0.1976
Loa Loa (eye worm) hypothetical protein 0.012 0.0622 0.1729
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0134 0.0715 0.1321
Loa Loa (eye worm) transcription factor SMAD2 0.0587 0.3599 1
Trichomonas vaginalis chromobox protein, putative 0.0069 0.0297 0.0871
Echinococcus granulosus methyl CpG binding domain protein 2 0.0051 0.0183 0.0282
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0038 0.0105
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.003 0.005 0.0218
Loa Loa (eye worm) hypothetical protein 0.0164 0.0902 0.2507
Trichomonas vaginalis esterase, putative 0.0043 0.0136 0.0386
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0523 0.3191 0.6149
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0037 0.0095 0.0003
Entamoeba histolytica hypothetical protein 0.0071 0.0312 0.0955
Loa Loa (eye worm) hypothetical protein 0.0038 0.0103 0.0287
Schistosoma mansoni lozenge 0.0055 0.0209 0.0333
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.0094 0.0271
Mycobacterium tuberculosis Conserved protein 0.0043 0.0136 0.0272
Loa Loa (eye worm) hypothetical protein 0.0087 0.0413 0.1147
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0209 0.1193 0.3315
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0097 0.0116
Schistosoma mansoni bromodomain containing protein 0.0188 0.1059 0.1992
Echinococcus multilocularis mitogen activated protein kinase 3 0.005 0.018 0.0142
Toxoplasma gondii PHD-finger domain-containing protein 0.0087 0.0413 0.6461
Loa Loa (eye worm) intermediate filament protein 0.0079 0.0365 0.1015
Schistosoma mansoni hypothetical protein 0.0062 0.0255 0.0424
Brugia malayi Thioredoxin reductase 0.0037 0.0094 0.0262
Loa Loa (eye worm) hypothetical protein 0.0034 0.0076 0.0212
Brugia malayi MAP kinase sur-1 0.005 0.018 0.0499
Schistosoma mansoni TGF-beta signal transducer Smad2 0.004 0.0114 0.0148
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0164 0.0902 0.2507
Echinococcus multilocularis Protein lozenge 0.0055 0.0209 0.0171
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.0374 0.0655
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0081 0.0374 0.0337
Brugia malayi PHD-finger family protein 0.0034 0.0076 0.0212
Trypanosoma cruzi ISWI complex protein 0.0046 0.0149 0.0444
Onchocerca volvulus 0.0043 0.0136 0.0325
Brugia malayi jmjC domain containing protein 0.0111 0.0565 0.1571
Trypanosoma brucei protein kinase, putative 0.005 0.018 0.045
Schistosoma mansoni hypothetical protein 0.0134 0.0715 0.1321
Brugia malayi MH1 domain containing protein 0.004 0.0114 0.0316
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0119 0.0618 0.1131
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0105 0.0292
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.0105 0.0292
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0097 0.006
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0136 0.0386
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.003 0.005 0.0025
Echinococcus granulosus PHD finger protein rhinoceros 0.0087 0.0413 0.0731
Toxoplasma gondii WD domain, G-beta repeat-containing protein 0.0028 0.004 0.0039
Brugia malayi MH2 domain containing protein 0.004 0.0114 0.0316
Giardia lamblia PHD finger protein 15 0.0087 0.0413 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0197 0.1111 0.3088
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.005 0.018 0.045
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0285 0.1672 0.3187
Echinococcus granulosus mitogen activated protein kinase 0.005 0.018 0.0277
Brugia malayi exodeoxyribonuclease III family protein 0.0037 0.0095 0.0263
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0037 0.0095 0.0273
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0123 0.0348
Loa Loa (eye worm) PHD-finger family protein 0.0087 0.0413 0.1147
Trypanosoma cruzi PAB1-binding protein , putative 0.0074 0.0333 0.1022
Echinococcus multilocularis chromobox protein 1 0.0069 0.0297 0.0261
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0285 0.1672 0.1641
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.005 0.018 0.2444
Schistosoma mansoni smad1 5 8 and 0.004 0.0114 0.0148
Schistosoma mansoni Smad4 0.004 0.0114 0.0148
Loa Loa (eye worm) hypothetical protein 0.0043 0.0136 0.0378
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.0136 0.0378
Loa Loa (eye worm) hypothetical protein 0.0043 0.0136 0.0378
Schistosoma mansoni transcription factor LCR-F1 0.0071 0.0312 0.0534
Trypanosoma cruzi ISWI complex protein 0.0046 0.0149 0.0444
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0037 0.0095 0.0273
Schistosoma mansoni hypothetical protein 0.0307 0.1817 0.3469
Schistosoma mansoni hypothetical protein 0.0062 0.0255 0.0424
Echinococcus multilocularis GPCR, family 2 0.0062 0.0255 0.0218
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0037 0.0095 0.1516
Leishmania major trypanothione reductase 0.0037 0.0094 0.0271
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0094 0.0455 0.2354
Brugia malayi hypothetical protein 0.0048 0.0165 0.0459
Echinococcus multilocularis TGF beta signal transducer SmadC 0.004 0.0114 0.0076
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0062 0.0255 0.0218
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0523 0.3191 1
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.005 0.018 0.0499
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0178 0.0991 0.0957
Loa Loa (eye worm) glutathione reductase 0.0037 0.0094 0.0262
Leishmania major hypothetical protein, conserved 0.0028 0.0038 0.0094
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0046 0.0152 0.0179
Schistosoma mansoni aldehyde dehydrogenase 0.0119 0.0618 0.1131
Mycobacterium ulcerans hypothetical protein 0.0043 0.0136 0.0128
Echinococcus granulosus lamin 0.0079 0.0365 0.0639
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0037 0.0095 0.0057
Trichomonas vaginalis glutaminase, putative 0.0545 0.3331 1
Entamoeba histolytica hypothetical protein 0.0071 0.0312 0.0955
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.0136 0.0192
Mycobacterium tuberculosis Probable lipase LipE 0.0043 0.0136 0.0272
Onchocerca volvulus 0.0238 0.1377 0.5111
Schistosoma mansoni importin beta-1 0.0029 0.0042 0.0009
Brugia malayi latrophilin 2 splice variant baaae 0.0134 0.0715 0.1987
Plasmodium vivax ataxin-2 like protein, putative 0.0074 0.0333 0.7877
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0136 0.0403
Trypanosoma brucei ISWI complex protein 0.0046 0.0149 0.0353
Echinococcus granulosus peregrin 0.0094 0.0458 0.0819
Brugia malayi jmjC domain containing protein 0.0028 0.0038 0.0105
Onchocerca volvulus 0.0164 0.0902 0.3279
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0037 0.0095 0.0273
Schistosoma mansoni mixed-lineage leukemia protein mll 0.003 0.0047 0.0018
Trichomonas vaginalis CMGC family protein kinase 0.005 0.018 0.0517
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0043 0.0136 0.0272
Plasmodium falciparum thioredoxin reductase 0.0037 0.0094 0.1505
Echinococcus multilocularis zinc finger protein 0.0058 0.023 0.0193
Schistosoma mansoni microtubule-associated protein tau 0.0678 0.4174 0.8066
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0523 0.3191 0.3165
Loa Loa (eye worm) glutaminase 0.0545 0.3331 0.9255
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0062 0.0255 0.0709
Trypanosoma brucei PAB1-binding protein , putative 0.0074 0.0333 0.0936
Trichomonas vaginalis set domain proteins, putative 0.0238 0.1377 0.4121
Loa Loa (eye worm) hypothetical protein 0.0079 0.0365 0.1015
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.0395 0.1964
Loa Loa (eye worm) hypothetical protein 0.0043 0.0136 0.0378
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0164 0.0902 0.1685
Brugia malayi MH2 domain containing protein 0.004 0.0114 0.0316
Schistosoma mansoni hypothetical protein 0.0061 0.025 0.0415
Echinococcus multilocularis musashi 0.0079 0.0365 0.0329
Brugia malayi hypothetical protein 0.0074 0.0333 0.0926
Echinococcus multilocularis smad 0.004 0.0114 0.0076
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0119 0.0618 0.0582
Plasmodium falciparum glutathione reductase 0.0037 0.0094 0.1505
Brugia malayi MH2 domain containing protein 0.0587 0.3599 1
Echinococcus multilocularis lamin 0.0079 0.0365 0.0329
Brugia malayi beta-lactamase 0.0043 0.0136 0.0378
Brugia malayi Latrophilin receptor protein 2 0.0062 0.0255 0.0709
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.0136 0.0403
Trichomonas vaginalis chromobox protein, putative 0.0042 0.0123 0.0348
Echinococcus granulosus chromobox protein 1 0.0069 0.0297 0.0506
Plasmodium vivax hypothetical protein, conserved 0.0028 0.004 0.006
Schistosoma mansoni serine/threonine protein kinase 0.005 0.018 0.0277
Brugia malayi Pre-SET motif family protein 0.003 0.005 0.014
Leishmania major hypothetical protein, conserved 0.0046 0.0149 0.0444
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0134 0.0715 0.1987
Brugia malayi Bromodomain containing protein 0.0223 0.1281 0.3561
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.005 0.018 0.054
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0037 0.0095 0.0263
Toxoplasma gondii exonuclease III APE 0.0037 0.0095 0.0979
Echinococcus granulosus lysine specific demethylase 5A 0.0111 0.0565 0.1029
Echinococcus granulosus jumonji domain containing protein 0.0121 0.063 0.1154
Loa Loa (eye worm) MH2 domain-containing protein 0.0587 0.3599 1
Loa Loa (eye worm) hypothetical protein 0.0211 0.12 0.3336
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0043 0.0136 0.0272
Brugia malayi jmjC domain containing protein 0.0028 0.0038 0.0105
Toxoplasma gondii ABC1 family protein 0.0043 0.0136 0.1693
Echinococcus multilocularis jumonji domain containing protein 0.0121 0.063 0.0594
Onchocerca volvulus 0.0043 0.0136 0.0325
Trichomonas vaginalis conserved hypothetical protein 0.0027 0.0033 0.0076
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.0395 0.1964
Echinococcus multilocularis L aminoadipate semialdehyde 0.0164 0.0902 0.0867
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0071 0.0312 0.0275
Loa Loa (eye worm) jmjC domain-containing protein 0.0179 0.1002 0.2785
Brugia malayi Smad1 0.004 0.0114 0.0316
Giardia lamblia Kinase, CMGC MAPK 0.005 0.018 0.2672
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0107 0.0541 0.0505
Schistosoma mansoni intermediate filament proteins 0.0079 0.0365 0.0639
Schistosoma mansoni methyl-cpg binding protein mbd 0.0051 0.0183 0.0282
Echinococcus multilocularis lysine specific demethylase 5A 0.0105 0.0529 0.0493
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0034 0.0074 0.0071
Onchocerca volvulus Alhambra homolog 0.0087 0.0413 0.1392
Toxoplasma gondii aldehyde dehydrogenase 0.0119 0.0618 1
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.0094 0.0262
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0043 0.0136 0.0272
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0046 0.0152 0.0379
Plasmodium falciparum phd finger protein, putative 0.0087 0.0413 1
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0067 0.0287 0.0485
Brugia malayi intermediate filament protein 0.0079 0.0365 0.1015
Echinococcus granulosus zinc finger protein 0.0058 0.023 0.0376
Brugia malayi AF-10 protein 0.0028 0.004 0.0111
Brugia malayi Pre-SET motif family protein 0.0209 0.1193 0.3315
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0134 0.0715 0.1321
Brugia malayi F/Y-rich N-terminus family protein 0.0035 0.0083 0.0231
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0037 0.0095 0.0273
Onchocerca volvulus Huntingtin homolog 0.012 0.0622 0.22
Mycobacterium tuberculosis Probable esterase LipL 0.0043 0.0136 0.0272
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.0094 0.1505
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0523 0.3191 0.8868
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0046 0.0152 0.1976
Schistosoma mansoni ap endonuclease 0.0037 0.0095 0.0111
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0029 0.0043 0.0011
Toxoplasma gondii thioredoxin reductase 0.0037 0.0094 0.0973
Schistosoma mansoni zinc finger protein 0.0058 0.023 0.0376
Mycobacterium ulcerans aldehyde dehydrogenase 0.0119 0.0618 0.1617
Echinococcus multilocularis mitogen activated protein kinase 0.005 0.018 0.0142
Echinococcus granulosus L aminoadipate semialdehyde 0.0164 0.0902 0.1685
Echinococcus granulosus geminin 0.0833 0.5166 1
Brugia malayi glutaminase DH11.1 0.0545 0.3331 0.9255
Loa Loa (eye worm) latrophilin receptor protein 2 0.0062 0.0255 0.0709
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0081 0.0374 0.0655
Loa Loa (eye worm) hypothetical protein 0.0028 0.0038 0.0105
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0094 0.0455 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0523 0.3191 0.8868
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0087 0.0413 0.0731
Mycobacterium tuberculosis Probable lipase LipD 0.0043 0.0136 0.0272
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.0136 0.0386
Brugia malayi jmjC domain containing protein 0.0028 0.0038 0.0105
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.0136 0.0386
Loa Loa (eye worm) hypothetical protein 0.0134 0.0715 0.1987
Schistosoma mansoni smad 0.004 0.0114 0.0148
Brugia malayi jmjC domain containing protein 0.0285 0.1672 0.4647
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0042 0.0081
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0523 0.3191 1
Trypanosoma brucei trypanothione reductase 0.0037 0.0094 0.0179
Echinococcus granulosus mitogen activated protein kinase 3 0.005 0.018 0.0277
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0038 0.0103 0.0066
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0033 0.0072 0.0034
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0123 0.0277
Schistosoma mansoni methyl-cpg binding protein mbd 0.0051 0.0183 0.0282
Schistosoma mansoni hypothetical protein 0.0028 0.004 0.0004
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0028 0.0038 0.0094
Loa Loa (eye worm) hypothetical protein 0.0078 0.0356 0.0989
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0046 0.0152 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.0136 0.0099
Loa Loa (eye worm) MH2 domain-containing protein 0.004 0.0114 0.0316
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.005 0.018 0.054

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) = 3.1623 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] 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 (binding) = 22.3872 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (without detergent). (Class of assay: confirmatory) [Related pubchem assays: 2158 (Confirmation qHTS Assay for Inhibitors of Cruzain), 2249 (Probe Development Summary of Promiscuous Inhibitors (Artifacts) of Cruzain), 2161 (qHTS Assay for Inhibitors of Papain: Counterscreen for Cruzain Assay), 1478 (qHTS Assay for Promiscuous and Specific Inhibitors of Cruzain (with detergent))] ChEMBL. No reference

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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