Detailed information for compound 1321170

Basic information

Technical information
  • TDR Targets ID: 1321170
  • Name: 2-(3-chlorophenyl)isoindole-1,3-dione
  • MW: 257.672 | Formula: C14H8ClNO2
  • H donors: 0 H acceptors: 2 LogP: 3.08 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: Clc1cccc(c1)N1C(=O)c2c(C1=O)cccc2
  • InChi: 1S/C14H8ClNO2/c15-9-4-3-5-10(8-9)16-13(17)11-6-1-2-7-12(11)14(16)18/h1-8H
  • InChiKey: MIWPRIGNFUWKDN-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 2-(3-chlorophenyl)isoindoline-1,3-dione
  • 2-(3-chlorophenyl)isoindoline-1,3-quinone
  • AIDS-167138
  • AIDS167138
  • Phthalimide, N-(m-chloro-phenyl)-
  • 1H-Isoindole-1,3(2H)-dione, 2-(3-chlorophenyl)-
  • Phthalimide, N-(m-chlorophenyl)-
  • Oprea1_487107
  • ZINC00271059
  • ST5102673

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Leishmania mexicana pyruvate kinase, putative Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium falciparum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium vivax pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium parvum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase-PB Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania donovani pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei gambiense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Giardia lamblia Pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium leprae Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma congolense pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium yoelii pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii pyruvate kinase PyK1 Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1, putative Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Mycobacterium tuberculosis Probable pyruvate kinase PykA Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma cruzi pyruvate kinase 2, putative Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Entamoeba histolytica pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Babesia bovis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Candida albicans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Pyruvate kinase homolog Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Trichomonas vaginalis pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Echinococcus granulosus pyruvate kinase pyruvate kinase, putative 498 aa 515 aa 27.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Chlamydia trachomatis pyruvate kinase 0.004 0.1155 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0047 0.1397 0.1598
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0047 0.1397 0.0277
Leishmania major hypothetical protein, conserved 0.0059 0.1872 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0192 0.6924 1
Mycobacterium leprae Probable lipase LipE 0.0042 0.1226 0.295
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0042 0.1225 0.2489
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0012 0.0085 0.0097
Echinococcus granulosus beta LACTamase domain containing family member 0.0042 0.1226 0.2492
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.1155 0.6167
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0929 0.3013
Onchocerca volvulus 0.0042 0.1226 0.1226
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0042 0.1226 0.0082
Loa Loa (eye worm) matrix metalloproteinase 0.0038 0.1079 0.1234
Brugia malayi beta-lactamase family protein 0.0042 0.1226 0.1403
Brugia malayi Matrixin family protein 0.0038 0.1079 0.1234
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0033 0.0881 0.179
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0034 0.0929 0.3013
Trichomonas vaginalis esterase, putative 0.0042 0.1226 0.0892
Onchocerca volvulus Matrilysin homolog 0.0085 0.2854 0.2854
Loa Loa (eye worm) latrophilin receptor protein 2 0.0018 0.0324 0.0371
Loa Loa (eye worm) hypothetical protein 0.002 0.0367 0.042
Brugia malayi beta-lactamase 0.0042 0.1226 0.1403
Onchocerca volvulus 0.0042 0.1226 0.1226
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0929 0.3013
Loa Loa (eye worm) hypothetical protein 0.004 0.1155 0.1322
Mycobacterium tuberculosis Probable hydrolase 0.0042 0.1226 0.0082
Brugia malayi Bloom's syndrome protein homolog 0.002 0.0367 0.042
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.1155 0.0818
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0018 0.0324 0.0659
Echinococcus granulosus pyruvate kinase 0.0021 0.0408 0.083
Entamoeba histolytica hypothetical protein 0.0042 0.1225 0.1768
Schistosoma mansoni blooms syndrome DNA helicase 0.001 0.0001 0.0004
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.6924 0.6806
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0059 0.1872 0.1562
Brugia malayi Pre-SET motif family protein 0.0034 0.0929 0.1063
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0034 0.0929 0.1887
Plasmodium vivax hypothetical protein, conserved 0.0042 0.1226 1
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.6924 0.6806
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.1155 0.9418
Mycobacterium tuberculosis Probable esterase LipL 0.0042 0.1226 0.0082
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0059 0.1872 0.1562
Brugia malayi Latrophilin receptor protein 2 0.0018 0.0324 0.0371
Brugia malayi Pre-SET motif family protein 0.0239 0.874 1
Echinococcus multilocularis GPCR, family 2 0.0018 0.0324 0.0659
Mycobacterium ulcerans hydrolase 0.0047 0.1397 0.0419
Brugia malayi Calcitonin receptor-like protein seb-1 0.0058 0.1844 0.2109
Mycobacterium tuberculosis Probable lipase LipE 0.0042 0.1226 0.0082
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1407 0.161
Schistosoma mansoni pyruvate kinase 0.004 0.1155 0.3746
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.6924 0.6806
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0367 0.042
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1407 0.2858
Loa Loa (eye worm) hypothetical protein 0.0042 0.1226 0.1403
Trypanosoma brucei hypothetical protein, conserved 0.0042 0.1226 0.5709
Toxoplasma gondii pyruvate kinase PyKII 0.0021 0.0408 0.3323
Loa Loa (eye worm) MH2 domain-containing protein 0.014 0.4944 0.5657
Echinococcus granulosus ATP dependent DNA helicase Q1 0.002 0.0367 0.0746
Echinococcus granulosus histone lysine methyltransferase setb 0.0034 0.0929 0.1887
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.1155 0.1322
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0367 0.2987
Schistosoma mansoni hypothetical protein 0.0042 0.1225 0.3973
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.002 0.0367 0.042
Plasmodium vivax SET domain protein, putative 0.0034 0.0929 0.7572
Loa Loa (eye worm) hypothetical protein 0.0042 0.1226 0.1403
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0034 0.0929 0.3013
Entamoeba histolytica hypothetical protein 0.0042 0.1225 0.1768
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0691 0.0996
Brugia malayi latrophilin 2 splice variant baaae 0.004 0.114 0.1305
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0042 0.1226 0.0082
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.1155 0.5235
Loa Loa (eye worm) hypothetical protein 0.004 0.114 0.1305
Schistosoma mansoni pyruvate kinase 0.004 0.1155 0.3746
Entamoeba histolytica hypothetical protein 0.0042 0.1225 0.1768
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0269 0.9877 1
Loa Loa (eye worm) pyruvate kinase 0.004 0.1155 0.1322
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0133 0.4672 0.4033
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1407 0.2858
Echinococcus multilocularis bloom syndrome protein 0.002 0.0367 0.0746
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.1155 0.6167
Schistosoma mansoni DNA helicase recq5 0.002 0.0367 0.1191
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0058 0.1844 0.2109
Loa Loa (eye worm) hypothetical protein 0.0042 0.1226 0.1403
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.1226 0.0892
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0042 0.1226 0.1403
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.1226 0.0892
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.1226 0.0892
Mycobacterium ulcerans beta-lactamase 0.0042 0.1226 0.0124
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1407 0.2858
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.1872 1
Brugia malayi Low molecular weight phosphotyrosine protein phosphatase containing protein 0.0192 0.6924 0.7922
Leishmania major pyruvate kinase 0.004 0.1155 0.5235
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.6924 0.6806
Echinococcus multilocularis pyruvate kinase 0.0021 0.0408 0.083
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0691 0.079
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0002
Schistosoma mansoni pyruvate kinase 0.0021 0.0408 0.1324
Loa Loa (eye worm) hypothetical protein 0.0038 0.1079 0.1234
Schistosoma mansoni transcription factor LCR-F1 0.0042 0.1225 0.3973
Mycobacterium leprae PROBABLE HYDROLASE 0.0047 0.1397 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.1155 0.1155
Echinococcus granulosus ATP dependent DNA helicase Q5 0.002 0.0367 0.0746
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.1226 0.3977
Plasmodium falciparum pyruvate kinase 0.004 0.1155 1
Mycobacterium ulcerans hypothetical protein 0.0042 0.1226 0.0124
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0192 0.6924 1
Entamoeba histolytica hypothetical protein 0.0042 0.1225 0.1768
Loa Loa (eye worm) hypothetical protein 0.0047 0.1397 0.1598
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0042 0.1226 0.0124
Echinococcus multilocularis pyruvate kinase 0.0032 0.0832 0.169
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0059 0.1872 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.1155 0.1155
Entamoeba histolytica recQ family helicase, putative 0.002 0.0367 0.0529
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1407 0.161
Toxoplasma gondii ABC1 family protein 0.0042 0.1226 1
Echinococcus granulosus pyruvate kinase 0.0021 0.0408 0.083
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0192 0.6924 1
Onchocerca volvulus 0.0192 0.6924 0.6924
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1226 0.6548
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1407 0.4562
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0038 0.1079 0.3499
Mycobacterium tuberculosis Conserved protein 0.0042 0.1226 0.0082
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1407 0.4562
Echinococcus granulosus pyruvate kinase 0.004 0.1155 0.2347
Mycobacterium tuberculosis Conserved protein 0.0042 0.1226 0.0082
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0042 0.1226 0.0082
Loa Loa (eye worm) transcription factor SMAD2 0.014 0.4944 0.5657
Brugia malayi Matrixin family protein 0.0038 0.1079 0.1234
Loa Loa (eye worm) hypothetical protein 0.0058 0.1844 0.2109
Echinococcus granulosus GPCR family 2 0.0018 0.0324 0.0659
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0034 0.0929 0.1887
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.002 0.0367 0.0746
Schistosoma mansoni hypothetical protein 0.0018 0.0324 0.1051
Plasmodium vivax pyruvate kinase 2, putative 0.0021 0.0408 0.3323
Loa Loa (eye worm) RecQ helicase 0.002 0.0367 0.042
Trichomonas vaginalis D-aminoacylase, putative 0.0042 0.1226 0.0892
Loa Loa (eye worm) pyruvate kinase 0.004 0.1155 0.1322
Plasmodium falciparum pyruvate kinase 2 0.0021 0.0408 0.0522
Brugia malayi Hemopexin family protein 0.0054 0.1688 0.1931
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0018 0.0324 0.0659
Loa Loa (eye worm) hypothetical protein 0.0038 0.1079 0.1234
Echinococcus granulosus pyruvate kinase 0.0021 0.0408 0.083
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0018 0.0324 0.0659
Mycobacterium tuberculosis Conserved protein 0.0042 0.1226 0.0082
Loa Loa (eye worm) hypothetical protein 0.0034 0.0929 0.1063
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0192 0.6924 1
Onchocerca volvulus 0.0034 0.0929 0.0929
Echinococcus multilocularis pyruvate kinase 0.0021 0.0408 0.083
Mycobacterium ulcerans lipase LipD 0.0042 0.1226 0.0124
Brugia malayi hypothetical protein 0.0042 0.1225 0.1402
Loa Loa (eye worm) hypothetical protein 0.0038 0.1079 0.1234
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0018 0.0324 0.0659
Echinococcus multilocularis beta LACTamase domain containing family member 0.0042 0.1226 0.2492
Echinococcus granulosus bloom syndrome protein 0.002 0.0367 0.0746
Schistosoma mansoni hypothetical protein 0.0018 0.0324 0.1051
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0139 0.4922 1
Loa Loa (eye worm) hypothetical protein 0.0028 0.0691 0.079
Onchocerca volvulus Matrilysin homolog 0.0038 0.1079 0.1079
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0042 0.1225 0.2489
Plasmodium vivax pyruvate kinase, putative 0.004 0.1155 0.9418
Giardia lamblia Pyruvate kinase 0.004 0.1155 0.1202
Onchocerca volvulus 0.0054 0.1688 0.1688
Onchocerca volvulus Matrix metalloproteinase homolog 0.0085 0.2854 0.2854
Loa Loa (eye worm) beta-lactamase 0.0042 0.1226 0.1403
Loa Loa (eye worm) hypothetical protein 0.0042 0.1226 0.1403
Loa Loa (eye worm) hypothetical protein 0.0042 0.1226 0.1403
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0091 0.3083 1
Onchocerca volvulus 0.0042 0.1226 0.1226
Loa Loa (eye worm) ATP-dependent DNA helicase 0.002 0.0367 0.042
Mycobacterium leprae conserved hypothetical protein 0.0042 0.1226 0.295
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0139 0.4922 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0018 0.0324 0.0371
Loa Loa (eye worm) hypothetical protein 0.0042 0.1226 0.1403
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.002 0.0367 0.2987
Echinococcus multilocularis pyruvate kinase 0.0021 0.0408 0.083
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.1155 0.1155
Loa Loa (eye worm) matrixin family protein 0.0093 0.3146 0.3599
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0042 0.1226 0.3977
Loa Loa (eye worm) hypothetical protein 0.0018 0.0324 0.0371
Mycobacterium ulcerans esterase/lipase LipP 0.0042 0.1226 0.0124
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.1155 0.0818
Brugia malayi MH2 domain containing protein 0.014 0.4944 0.5657
Leishmania major hypothetical protein, conserved 0.0042 0.1226 0.5709
Schistosoma mansoni hypothetical protein 0.0018 0.0324 0.1051
Echinococcus multilocularis pyruvate kinase 0.004 0.1155 0.2347
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0058 0.1844 0.2109
Loa Loa (eye worm) matrixin family protein 0.0085 0.2854 0.3266
Treponema pallidum ATP-dependent DNA helicase 0.001 0.0001 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0042 0.1226 0.6548
Schistosoma mansoni hypothetical protein 0.0054 0.1688 0.5475
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0192 0.6924 0.6806
Brugia malayi Matrixin family protein 0.0038 0.1079 0.1234
Giardia lamblia Pyruvate kinase 0.0021 0.0408 0.0063
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0192 0.6924 0.6806
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1407 0.4562
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0239 0.874 1
Schistosoma mansoni hypothetical protein 0.0018 0.0324 0.1051
Loa Loa (eye worm) hypothetical protein 0.001 0.0001 0.0002
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0034 0.0929 0.7572
Trichomonas vaginalis set domain proteins, putative 0.0273 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1407 0.2858
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.002 0.0367 0.1956
Schistosoma mansoni DNA helicase recq1 0.002 0.0367 0.1191
Leishmania major pyruvate kinase 0.004 0.1155 0.5235
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0192 0.6924 0.7922
Schistosoma mansoni hypothetical protein 0.004 0.114 0.3698
Echinococcus granulosus pyruvate kinase 0.004 0.1155 0.2347
Trichomonas vaginalis penicillin-binding protein, putative 0.0042 0.1226 0.0892
Loa Loa (eye worm) pyruvate kinase 0.004 0.1155 0.1322
Echinococcus multilocularis pyruvate kinase 0.004 0.1155 0.2347
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.1155 0.1322
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0042 0.1226 0.1403
Onchocerca volvulus 0.0038 0.1079 0.1079
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.002 0.0367 0.0746
Brugia malayi Matrixin family protein 0.0038 0.1079 0.1234
Brugia malayi beta-lactamase family protein 0.0042 0.1226 0.1403
Trypanosoma cruzi hypothetical protein, conserved 0.0059 0.1872 1
Brugia malayi Matrixin family protein 0.0093 0.3146 0.3599
Trypanosoma brucei pyruvate kinase 1 0.004 0.1155 0.5235
Mycobacterium tuberculosis Probable lipase LipD 0.0042 0.1226 0.0082

Activities

Activity type Activity value Assay description Source Reference
Activity (functional) = 25 % Anticonvulsant activity against maximal electroshock-induced seizure in albino mouse assessed as seizures at 300 mg/kg, ip after 0.5 hr ChEMBL. No reference
Activity (functional) = 100 % Anticonvulsant activity against subcutaneous pentylenetetrazole-induced seizures in albino mouse assessed as seizure at 100 mg/kg, ip after 0.5 hr ChEMBL. No reference
Activity (functional) = 100 % Anticonvulsant activity against maximal electroshock-induced seizures in albino mouse assessed as seizure at 100 mg/kg, ip after 0.5 hr ChEMBL. No reference
Activity (functional) = 100 % Anticonvulsant activity against maximal electroshock-induced seizures in albino mouse assessed as seizure at 30 mg/kg, ip after 0.5 hr ChEMBL. No reference
ED50 (functional) = 190 mg kg-1 Anticonvulsant activity in ip dosed albino mouse assessed as protection against maximal electroshock-induced seizures after 0.5 hr ChEMBL. No reference
mortality (functional) = 25 % Anticonvulsant activity in albino mouse assessed as protection against against subcutaneous pentylenetetrazole-induced death measured as mortality at 300 mg/kg, ip after 0.5 hr ChEMBL. No reference
mortality (functional) = 75 % Anticonvulsant activity in albino mouse assessed as protection against against subcutaneous pentylenetetrazole-induced death measured as mortality at 100 mg/kg, ip after 0.5 hr ChEMBL. No reference
mortality (functional) = 100 % Anticonvulsant activity in albino mouse assessed as protection against against subcutaneous pentylenetetrazole-induced death measured as mortality at 30 mg/kg, ip after 0.5 hr ChEMBL. No reference
Potency (functional) 0.0029 uM PUBCHEM_BIOASSAY: Confirmation Assay for Inhibitors of Leishmania Mexicana Pyruvate Kinase (LmPK): for Probe SAR. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1379, AID1721, AID2266] ChEMBL. No reference
Ratio TD50/ED50 (functional) = 1.57 Protective index, ratio of TD50 for neurotoxicity in ip dosed albino mouse to ED50 for anticonvulsant activity in ip dosed albino mouse ChEMBL. No reference
TD50 (ADMET) = 300 mg kg-1 Neurotoxicity in ip dosed albino mouse measured after 30 mins by rotarod method ChEMBL. No reference
TIME (functional) = 3.5 min Anticonvulsant activity against subcutaneous pentylenetetrazole-induced seizures in albino mouse assessed as onset of seizure time at 30 mg/kg, ip after 0.5 hr ChEMBL. No reference
TIME (functional) = 3.75 min Anticonvulsant activity against subcutaneous pentylenetetrazole-induced seizures in albino mouse assessed as onset of seizure time at 100 mg/kg, ip after 0.5 hr ChEMBL. No reference
TIME (functional) = 4.75 min Anticonvulsant activity against subcutaneous pentylenetetrazole-induced seizures in albino mouse assessed as onset of seizure time at 300 mg/kg, ip after 0.5 hr ChEMBL. No reference
TIME (functional) = 7 min Anticonvulsant activity against subcutaneous pentylenetetrazole-induced seizures in albino mouse assessed as duration of seizure time at 100 mg/kg, ip after 0.5 hr ChEMBL. No reference
TIME (functional) = 9 min Anticonvulsant activity against subcutaneous pentylenetetrazole-induced seizures in albino mouse assessed as duration of seizure time at 300 mg/kg, ip after 0.5 hr ChEMBL. No reference
TIME (functional) = 11.25 min Anticonvulsant activity against subcutaneous pentylenetetrazole-induced seizures in albino mouse assessed as duration of seizure time at 30 mg/kg, ip after 0.5 hr ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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