Detailed information for compound 1456508

Basic information

Technical information
  • TDR Targets ID: 1456508
  • Name: 3-(phenylmethyl)-8-propan-2-ylsulfanylpurin-6 -amine
  • MW: 299.394 | Formula: C15H17N5S
  • H donors: 1 H acceptors: 3 LogP: 2.66 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(Sc1nc2c(n1)n(cnc2N)Cc1ccccc1)C
  • InChi: 1S/C15H17N5S/c1-10(2)21-15-18-12-13(16)17-9-20(14(12)19-15)8-11-6-4-3-5-7-11/h3-7,9-10H,8,16H2,1-2H3
  • InChiKey: GGAMFXDTHRZHNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 8-isopropylsulfanyl-3-(phenylmethyl)purin-6-amine
  • 8-(isopropylthio)-3-(phenylmethyl)-6-purinamine
  • [3-(benzyl)-8-(isopropylthio)purin-6-yl]amine
  • 3-(phenylmethyl)-8-propan-2-ylsulfanyl-purin-6-amine
  • ZINC02858288
  • SMR000294531
  • A3092/0130880
  • 3-benzyl-8-(isopropylthio)-3H-purin-6-amine
  • MLS000675617

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens pyruvate kinase, muscle Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Loa Loa (eye worm) pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
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
Trypanosoma brucei pyruvate kinase 1 Get druggable targets OG5_126685 All targets in OG5_126685
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus multilocularis 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
Loa Loa (eye worm) pyruvate kinase 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
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium knowlesi pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania mexicana 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
Echinococcus granulosus pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Leishmania major 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
Trypanosoma brucei gambiense pyruvate kinase 1, putative 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
Cryptosporidium parvum 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
Trichomonas vaginalis pyruvate kinase, putative 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
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
Brugia malayi Pyruvate kinase, M2 isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
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
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni 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
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Mycobacterium ulcerans pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania braziliensis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Plasmodium berghei pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Chlamydia trachomatis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi Pyruvate kinase, muscle isozyme Get druggable targets OG5_126685 All targets in OG5_126685
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum Pyruvate kinase isozyme R, putative Get druggable targets OG5_126685 All targets in OG5_126685
Plasmodium falciparum 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
Neospora caninum Pyruvate kinase (EC 2.7.1.40), related Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Trypanosoma cruzi pyruvate kinase 2, 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
Theileria parva pyruvate kinase, putative Get druggable targets OG5_126685 All targets in OG5_126685
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126685 All targets in OG5_126685
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
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
Trypanosoma brucei gambiense pyruvate kinase 1, 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
Echinococcus multilocularis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
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
Giardia lamblia Pyruvate kinase 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
Leishmania infantum pyruvate kinase 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00873 pyruvate kinase [EC2.7.1.40], putative 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
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Leishmania braziliensis pyruvate kinase 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
Leishmania infantum pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Cryptosporidium hominis pyruvate kinase Get druggable targets OG5_126685 All targets in OG5_126685
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, 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
Leishmania mexicana pyruvate kinase, putative 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
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Echinococcus granulosus pyruvate kinase pyruvate kinase, muscle 605 aa 521 aa 34.9 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) vab-3 0.0018 0.0109 0.0102
Loa Loa (eye worm) hypothetical protein 0.0018 0.0109 0.0102
Brugia malayi 'Paired box' domain containing protein 0.0018 0.0109 0.0102
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0047 0.0415 0.0219
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0898 0.1709
Mycobacterium ulcerans 4-aminobutyrate aminotransferase 0.0047 0.0415 0.0219
Loa Loa (eye worm) hypothetical protein 0.004 0.0348 0.0341
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0348 0.0241
Mycobacterium leprae PROBABLE ADENOSYLMETHIONINE-8-AMINO-7-OXONONANOATE AMINOTRANSFERASE BIOA 0.0328 0.3429 1
Schistosoma mansoni pyruvate kinase 0.004 0.0348 0.0653
Brugia malayi CXXC zinc finger family protein 0.0035 0.0288 0.0281
Echinococcus granulosus GPCR family 2 0.0016 0.0091 0.0159
Echinococcus granulosus pyruvate kinase 0.0021 0.0137 0.0249
Mycobacterium tuberculosis Probable aminotransferase 0.0328 0.3429 1
Echinococcus multilocularis GPCR, family 2 0.0016 0.0091 0.0159
Loa Loa (eye worm) hypothetical protein 0.0148 0.1502 0.1496
Mycobacterium leprae Probable Acetylornithine aminotransferase ArgD 0.0047 0.0415 0.0219
Brugia malayi F/Y-rich N-terminus family protein 0.0011 0.0029 0.0023
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.0704 0.1338
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0348 0.5
Mycobacterium ulcerans glutamate-1-semialdehyde aminotransferase 0.0047 0.0415 0.0219
Loa Loa (eye worm) hypothetical protein 0.0018 0.0109 0.0102
Trypanosoma brucei pyruvate kinase 1, putative 0.004 0.0348 0.5
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0898 0.1709
Brugia malayi vab-3 gene. 0.0018 0.0109 0.0102
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0348 0.1014
Echinococcus granulosus paired box gene 3/7 (eyeless, eyegone, twin of eyeless) 0.0018 0.0109 0.0194
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0348 0.0241
Loa Loa (eye worm) pyruvate kinase 0.004 0.0348 0.0341
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0898 0.1709
Echinococcus granulosus pyruvate kinase 0.004 0.0348 0.0653
Brugia malayi 'Paired box' domain containing protein 0.0018 0.0109 0.0102
Echinococcus granulosus ornithine aminotransferase 0.0047 0.0415 0.0782
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0016 0.0091 0.0084
Plasmodium falciparum pyruvate kinase 0.004 0.0348 0.7567
Mycobacterium ulcerans acetylornithine aminotransferase 0.0047 0.0415 0.0219
Onchocerca volvulus Huntingtin homolog 0.0148 0.1502 0.1408
Echinococcus multilocularis Aminotransferase class III 0.0047 0.0415 0.0782
Loa Loa (eye worm) pyruvate kinase 0.004 0.0348 0.0341
Loa Loa (eye worm) paired box protein 0.0018 0.0109 0.0102
Loa Loa (eye worm) hypothetical protein 0.0016 0.0091 0.0084
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0092 0.0898 0.1709
Mycobacterium leprae PROBABLE GLUTAMATE-1-SEMIALDEHYDE 2,1-AMINOMUTASE HEML (GSA) (GLUTAMATE-1-SEMIALDEHYDE AMINOTRANSFERASE) (GSA-AT) 0.0047 0.0415 0.0219
Schistosoma mansoni hypothetical protein 0.0016 0.0091 0.0159
Schistosoma mansoni ornithine--oxo-acid transaminase 0.0047 0.0415 0.0782
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0016 0.0091 0.0159
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.047 0.0463
Entamoeba histolytica pyruvate kinase, putative 0.0028 0.0217 0.5
Onchocerca volvulus 0.0035 0.0288 0.0181
Schistosoma mansoni paired box protein pax-6 0.0018 0.0109 0.0194
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0898 0.1709
Schistosoma mansoni hypothetical protein 0.0035 0.0294 0.055
Echinococcus multilocularis pyruvate kinase 0.0032 0.0257 0.0478
Trypanosoma cruzi pyruvate kinase 2, putative 0.004 0.0348 0.5
Brugia malayi paired box protein 0.0018 0.0109 0.0102
Schistosoma mansoni pyruvate kinase 0.004 0.0348 0.0653
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0092 0.0898 0.0892
Schistosoma mansoni paired box protein pax-1-related 0.0018 0.0109 0.0194
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0012 0.0046 0.004
Echinococcus granulosus paired box protein pax 1 0.0018 0.0109 0.0194
Schistosoma mansoni cpg binding protein 0.0035 0.0288 0.0537
Brugia malayi Gooseberry protein 0.0018 0.0109 0.0102
Loa Loa (eye worm) pyruvate kinase-PB 0.0028 0.0217 0.021
Echinococcus multilocularis paired box protein pax 6 0.0018 0.0109 0.0194
Onchocerca volvulus Huntingtin homolog 0.0148 0.1502 0.1408
Loa Loa (eye worm) latrophilin receptor protein 2 0.0016 0.0091 0.0084
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0016 0.0091 0.0159
Mycobacterium tuberculosis Probable L-lysine-epsilon aminotransferase Lat (L-lysine aminotransferase) (lysine 6-aminotransferase) 0.0047 0.0415 0.0219
Echinococcus multilocularis cpg binding protein 0.0037 0.0309 0.0578
Toxoplasma gondii pyruvate kinase PyK1 0.004 0.0348 0.4354
Loa Loa (eye worm) hypothetical protein 0.0035 0.0294 0.0288
Schistosoma mansoni pyruvate kinase 0.0021 0.0137 0.0249
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0016 0.0091 0.0159
Plasmodium vivax ornithine aminotransferase, putative 0.0047 0.0415 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0109 0.0102
Echinococcus multilocularis paired box protein pax 1 0.0018 0.0109 0.0194
Echinococcus granulosus Aminotransferase class III 0.0047 0.0415 0.0782
Echinococcus multilocularis pyruvate kinase 0.0021 0.0137 0.0249
Mycobacterium ulcerans L-lysine aminotransferase 0.0047 0.0415 0.0219
Brugia malayi 4-aminobutyrate aminotransferase, mitochondrial precursor 0.0047 0.0415 0.0409
Schistosoma mansoni cpg binding protein 0.0037 0.0309 0.0578
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.047 0.0463
Plasmodium falciparum ornithine aminotransferase 0.0047 0.0415 1
Plasmodium vivax pyruvate kinase, putative 0.004 0.0348 0.7567
Brugia malayi hypothetical protein 0.0148 0.1502 0.1496
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0092 0.0898 0.1709
Brugia malayi Latrophilin receptor protein 2 0.0016 0.0091 0.0084
Schistosoma mansoni hypothetical protein 0.0494 0.5212 1
Echinococcus multilocularis ornithine aminotransferase 0.0047 0.0415 0.0782
Loa Loa (eye worm) histone methyltransferase 0.0011 0.0031 0.0024
Brugia malayi 'Paired box' domain containing protein 0.0018 0.0109 0.0102
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0011 0.0031 0.0044
Echinococcus granulosus pyruvate kinase 0.0021 0.0137 0.0249
Onchocerca volvulus 0.0941 1 1
Echinococcus multilocularis pyruvate kinase 0.004 0.0348 0.0653
Schistosoma mansoni cpg binding protein 0.0037 0.0309 0.0578
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0294 0.0288
Echinococcus multilocularis pyruvate kinase 0.004 0.0348 0.0653
Schistosoma mansoni hypothetical protein 0.0016 0.0091 0.0159
Leishmania major pyruvate kinase 0.004 0.0348 0.5
Chlamydia trachomatis glutamate-1-semialdehyde-2,1-aminomutase 0.0047 0.0415 1
Mycobacterium ulcerans ornithine aminotransferase RocD1 and RocD2 0.0047 0.0415 0.0219
Mycobacterium ulcerans adenosylmethionine-8-amino-7-oxononanoate aminotransferase 0.0328 0.3429 1
Trichomonas vaginalis pyruvate kinase, putative 0.004 0.0348 0.1014
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.5212 1
Echinococcus granulosus dnaJ subfamily B 0.0494 0.5212 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0016 0.0091 0.0159
Mycobacterium leprae Probable 4-aminobutyrate aminotransferase GabT (GAMMA-AMINO-N-BUTYRATE TRANSAMINASE) (GABA TRANSAMINASE) (GLUTAMATE:SUCCINIC SEM 0.0047 0.0415 0.0219
Echinococcus multilocularis paired box protein pax 6 0.0018 0.0109 0.0194
Giardia lamblia Pyruvate kinase 0.004 0.0348 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0011 0.0031 0.0044
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0288 0.0281
Echinococcus multilocularis paired box protein pax 6 0.0018 0.0109 0.0194
Loa Loa (eye worm) hypothetical protein 0.0148 0.1502 0.1496
Schistosoma mansoni paired box protein pax-6 0.0018 0.0109 0.0194
Echinococcus multilocularis pyruvate kinase 0.0021 0.0137 0.0249
Mycobacterium tuberculosis Adenosylmethionine-8-amino-7-oxononanoate aminotransferase BioA 0.0328 0.3429 1
Mycobacterium tuberculosis Probable glutamate-1-semialdehyde 2,1-aminomutase HemL (GSA) (glutamate-1-semialdehyde aminotransferase) (GSA-at) 0.0047 0.0415 0.0219
Echinococcus multilocularis pyruvate kinase 0.0021 0.0137 0.0249
Schistosoma mansoni hypothetical protein 0.0016 0.0091 0.0159
Brugia malayi paired box pox-meso protein 0.0018 0.0109 0.0102
Toxoplasma gondii ornithine aminotransferase, mitochondrial precursor, putative 0.0047 0.0415 0.5755
Echinococcus granulosus pyruvate kinase 0.004 0.0348 0.0653
Loa Loa (eye worm) pax transcription factor protein 2 0.0941 1 1
Onchocerca volvulus Pyruvate kinase homolog 0.004 0.0348 0.0241
Loa Loa (eye worm) pyruvate kinase 0.004 0.0348 0.0341
Mycobacterium tuberculosis Probable ornithine aminotransferase (N-terminus part) RocD1 (ornithine--oxo-acid aminotransferase) 0.0047 0.0415 0.0219
Brugia malayi Pyruvate kinase, muscle isozyme 0.004 0.0348 0.0341
Echinococcus multilocularis ornithine aminotransferase 0.0047 0.0415 0.0782
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.062 1
Echinococcus granulosus paired box protein pax 6 0.0018 0.0109 0.0194
Loa Loa (eye worm) hypothetical protein 0.0052 0.047 0.0463
Wolbachia endosymbiont of Brugia malayi acetylornithine transaminase protein 0.0047 0.0415 0.5
Trypanosoma brucei pyruvate kinase 1 0.004 0.0348 0.5
Echinococcus granulosus cpg binding protein 0.0037 0.0309 0.0578
Leishmania major pyruvate kinase 0.004 0.0348 0.5
Loa Loa (eye worm) hypothetical protein 0.0018 0.0109 0.0102
Loa Loa (eye worm) hypothetical protein 0.0028 0.0217 0.021
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0092 0.0898 0.0892
Schistosoma mansoni hypothetical protein 0.0016 0.0091 0.0159
Echinococcus granulosus paired box protein pax 6 0.0018 0.0109 0.0194
Brugia malayi Pyruvate kinase, M2 isozyme 0.004 0.0348 0.0341
Mycobacterium tuberculosis Probable acetylornithine aminotransferase ArgD 0.0047 0.0415 0.0219
Trichomonas vaginalis acetylornithine aminotransferase, putative 0.0328 0.3429 1
Schistosoma mansoni paired box protein pax-6 0.0018 0.0109 0.0194
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0092 0.0898 0.1709
Echinococcus granulosus pyruvate kinase 0.0021 0.0137 0.0249
Mycobacterium ulcerans hypothetical protein 0.0328 0.3429 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.047 0.0463

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4147 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) 1 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 3.9811 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 4.6535 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) = 10 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 14.1254 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Muscle isoform 2 Pyruvate Kinase. (Class of assay: confirmatory) [Related pubchem assays: 1379 ] ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 3 (EPAC1): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 125.8925 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens 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.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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