Detailed information for compound 1354811

Basic information

Technical information
  • TDR Targets ID: 1354811
  • Name: 2-methyl-N-[2-methyl-5-(methyl-(phenylmethyl) carbamoyl)phenyl]-5,6-dihydro-1,4-oxathiine-3 -carboxamide
  • MW: 396.503 | Formula: C22H24N2O3S
  • H donors: 1 H acceptors: 2 LogP: 3.5 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(C(=O)c1ccc(c(c1)NC(=O)C1=C(C)OCCS1)C)Cc1ccccc1
  • InChi: 1S/C22H24N2O3S/c1-15-9-10-18(22(26)24(3)14-17-7-5-4-6-8-17)13-19(15)23-21(25)20-16(2)27-11-12-28-20/h4-10,13H,11-12,14H2,1-3H3,(H,23,25)
  • InChiKey: IPALYHJAJIPRHF-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-methyl-N-[2-methyl-5-[(methyl-(phenylmethyl)amino)-oxomethyl]phenyl]-5,6-dihydro-1,4-oxathiine-3-carboxamide
  • N-[5-(benzyl-methyl-carbamoyl)-2-methyl-phenyl]-2-methyl-5,6-dihydro-1,4-oxathiine-3-carboxamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 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
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 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
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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 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
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
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0345 0.1056
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0197 0.0078
Trypanosoma brucei polo-like protein kinase 0.0102 0.2282 0.4084
Mycobacterium ulcerans hypothetical protein 0.0018 0.0123 0.0011
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0025 0.0305 0.0822
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.011 0.2478 1
Schistosoma mansoni DNA polymerase eta 0.0085 0.1841 0.2133
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.012 0.5
Echinococcus granulosus beta-adrenergic receptor kinase 0.0021 0.0206 0.0087
Brugia malayi regulator of G-protein signaling egl-10 0.0021 0.0197 0.0677
Loa Loa (eye worm) hypothetical protein 0.0021 0.0197 0.0055
Echinococcus multilocularis hexokinase 0.0086 0.1872 0.1773
Schistosoma mansoni hypothetical protein 0.0019 0.0154 0.0041
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0474 0.1515
Echinococcus granulosus snurportin 1 0.0333 0.8188 0.8166
Schistosoma mansoni hypothetical protein 0.0041 0.0718 0.0741
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.012 0.0178
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.012 0.0178
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0101 0.2248 0.2154
Schistosoma mansoni hypothetical protein 0.0019 0.0154 0.0041
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.2282 0.9201
Brugia malayi Hexokinase family protein 0.0027 0.0349 0.1197
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Treponema pallidum hexokinase (hxk) 0.0086 0.1872 0.8231
Mycobacterium ulcerans hypothetical protein 0.0027 0.0345 0.1056
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0465 0.0801
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0859 0.1513
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Echinococcus granulosus hexokinase 0.0086 0.1872 0.1773
Echinococcus granulosus axis inhibition protein axin 0.0021 0.0197 0.0078
Loa Loa (eye worm) hypothetical protein 0.0059 0.1171 0.1266
Leishmania major DNA damage repair protein, putative 0.0018 0.0123 0.0182
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0644 0.0649
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0123 0.0182
Brugia malayi jmjC domain containing protein 0.0103 0.231 0.7921
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0023 0.0254 0.0872
Echinococcus multilocularis dna polymerase kappa 0.0086 0.1872 0.1773
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0197 0.0715
Plasmodium falciparum importin beta, putative 0.0031 0.0465 0.1462
Loa Loa (eye worm) jmjC domain-containing protein 0.0065 0.1333 0.1468
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.2282 0.2188
Loa Loa (eye worm) hypothetical protein 0.0054 0.105 0.1116
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0101 0.2248 0.2607
Echinococcus multilocularis beta adrenergic receptor kinase 0.0021 0.0206 0.0087
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0432 0.1671
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1078 0.097
Entamoeba histolytica hypothetical protein 0.0025 0.0314 0.1293
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0019 0.0154 0.0034
Plasmodium vivax hexokinase, putative 0.0086 0.1872 0.7433
Brugia malayi Latrophilin receptor protein 2 0.0019 0.0154 0.0527
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0065 0.1319 0.4181
Loa Loa (eye worm) thioredoxin reductase 0.0051 0.0976 0.1023
Loa Loa (eye worm) RecQ helicase 0.0026 0.0331 0.0221
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.012 0.004
Leishmania major hexokinase, putative 0.0086 0.1872 0.3343
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1078 0.1187
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0748 0.2956
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0123 0.0182
Echinococcus granulosus chromobox protein 1 0.0075 0.1596 0.1493
Loa Loa (eye worm) glutathione reductase 0.0051 0.0976 0.1023
Trypanosoma brucei hexokinase 0.0086 0.1872 0.3343
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0127 0.2916 0.283
Brugia malayi Bromodomain containing protein 0.0032 0.0474 0.1625
Echinococcus granulosus GPCR family 2 0.0019 0.0154 0.0034
Trypanosoma brucei DNA polymerase kappa, putative 0.0065 0.1319 0.2343
Schistosoma mansoni hypothetical protein 0.0019 0.0154 0.0041
Leishmania major importin beta-1 subunit, putative 0.0025 0.0314 0.0528
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1078 0.1187
Loa Loa (eye worm) hypothetical protein 0.006 0.1205 0.1309
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.2282 0.9201
Echinococcus granulosus jumonji domain containing protein 0.0044 0.079 0.0678
Entamoeba histolytica hypothetical protein 0.0021 0.0197 0.0777
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0123 0.0182
Trypanosoma cruzi hypothetical protein, conserved 0.023 0.5556 1
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0117 0.2653 0.8837
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0101 0.2248 0.2154
Echinococcus multilocularis citrate lyase subunit beta protein 0.0027 0.0345 0.0227
Leishmania major hypothetical protein, conserved 0.023 0.5556 1
Entamoeba histolytica hexokinase 1 0.0086 0.1872 0.8186
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0961 0.3825
Loa Loa (eye worm) hypothetical protein 0.0042 0.0748 0.074
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.012 0.0178
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0101 0.2248 0.4023
Trypanosoma brucei DNA damage repair protein, putative 0.0018 0.0123 0.0182
Entamoeba histolytica deoxycytidyl transferase, putative 0.0057 0.1136 0.493
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.012 0.0018
Toxoplasma gondii HEAT repeat-containing protein 0.0031 0.0465 0.1496
Entamoeba histolytica hypothetical protein 0.0021 0.0197 0.0777
Loa Loa (eye worm) hexokinase 0.0086 0.1872 0.2138
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0748 0.2956
Loa Loa (eye worm) hexokinase type II 0.0086 0.1872 0.2138
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.2282 0.2679
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0197 0.0096
Mycobacterium ulcerans hypothetical protein 0.0027 0.0345 0.1056
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0021 0.0197 0.0715
Brugia malayi jmjC domain containing protein 0.0038 0.0644 0.2207
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.2282 0.2188
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0197 0.0096
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.011 0.2478 1
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0027 0.0345 0.1056
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1078 0.097
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0197 0.0078
Trichomonas vaginalis DNA polymerase eta, putative 0.0086 0.1872 0.7533
Trypanosoma brucei chrX additional, unordered contigs 0.0018 0.0123 0.0182
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0101 0.2248 0.4023
Brugia malayi PXA domain containing protein 0.0021 0.0197 0.0677
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0023 0.0251 0.0552
Brugia malayi Heterochromatin protein 1 0.0075 0.1596 0.5471
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0023 0.0254 0.0125
Onchocerca volvulus Hexokinase homolog 0.0054 0.105 0.3187
Echinococcus granulosus importin subunit beta 1 0.0031 0.0465 0.0349
Trypanosoma cruzi DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Schistosoma mansoni kinase 0.0052 0.0996 0.1085
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0103 0.231 0.2216
Onchocerca volvulus 0.0086 0.1872 0.7732
Plasmodium falciparum DNA repair protein REV1, putative 0.0018 0.0123 0.001
Brugia malayi Thioredoxin reductase 0.0051 0.0976 0.3346
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.011 0.2478 1
Brugia malayi hexokinase type II 0.0027 0.0368 0.1261
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0961 0.3825
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0345 0.1056
Echinococcus multilocularis lysine specific demethylase 5A 0.0038 0.0644 0.053
Loa Loa (eye worm) PXA domain-containing protein 0.0021 0.0197 0.0055
Brugia malayi Importin beta-1 subunit 0.0031 0.0465 0.1595
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0021 0.0206 0.0065
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0121 0.2769 0.3282
Schistosoma mansoni hypothetical protein 0.0019 0.0154 0.0041
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.012 0.0178
Echinococcus multilocularis expressed protein 0.0404 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Trichomonas vaginalis chromobox protein, putative 0.0046 0.083 0.329
Trypanosoma brucei importin beta-1 subunit, putative 0.0031 0.0465 0.0801
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0197 0.0096
Plasmodium falciparum phd finger protein, putative 0.0032 0.0474 0.1499
Echinococcus multilocularis importin subunit beta 1 0.0031 0.0465 0.0349
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0254 0.042
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.0066 0.1353 0.5246
Echinococcus multilocularis chromobox protein 1 0.0075 0.1596 0.1493
Schistosoma mansoni ran 0.0023 0.0254 0.0166
Leishmania major trypanothione reductase 0.0051 0.0976 0.1724
Onchocerca volvulus 0.0086 0.1872 0.7732
Echinococcus multilocularis axis inhibition protein axin 0.0021 0.0197 0.0078
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0021 0.0197 0.0096
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0314 0.119
Loa Loa (eye worm) hypothetical protein 0.0041 0.0718 0.0703
Schistosoma mansoni hypothetical protein 0.0032 0.0474 0.0438
Loa Loa (eye worm) hypothetical protein 0.0047 0.0859 0.0878
Mycobacterium tuberculosis Probable dehydrogenase 0.0117 0.2653 0.8837
Schistosoma mansoni ran 0.0023 0.0254 0.0166
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0123 0.0182
Trypanosoma brucei hypothetical protein, conserved 0.0018 0.0123 0.0182
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1596 0.6407
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.011 0.2478 1
Plasmodium falciparum hexokinase 0.0086 0.1872 0.7428
Trypanosoma cruzi DNA polymerase eta, putative 0.0085 0.1841 0.3287
Loa Loa (eye worm) hypothetical protein 0.0027 0.0368 0.0267
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.006 0.1205 0.4133
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1078 0.1151
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0314 0.0528
Echinococcus multilocularis regulator of G protein signaling 7 0.0021 0.0197 0.0078
Mycobacterium ulcerans DNA polymerase IV 0.0086 0.1872 0.8232
Leishmania major hexokinase, putative 0.0086 0.1872 0.3343
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0046 0.083 0.197
Giardia lamblia Kinase, PLK 0.0102 0.2282 0.9167
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0859 0.1513
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0066 0.1353 0.5792
Trypanosoma cruzi hypothetical protein, conserved 0.023 0.5556 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0035 0.0562 0.1542
Loa Loa (eye worm) hexokinase 0.0086 0.1872 0.2138
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0021 0.0197 0.0096
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.012 0.0178
Brugia malayi glutathione reductase 0.0051 0.0976 0.3346
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.013 0.2986 1
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0021 0.0197 0.0078
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.013 0.2986 1
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.011 0.2478 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0863 0.1519
Schistosoma mansoni hexokinase 0.0086 0.1872 0.2171
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1078 0.097
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.012 0.0178
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.012 0.0178
Mycobacterium tuberculosis Probable reductase 0.0117 0.2653 0.8837
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0057 0.1136 0.1259
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0033 0.0497 0.0859
Onchocerca volvulus 0.0054 0.105 0.3187
Schistosoma mansoni chromobox protein 0.0075 0.1596 0.1828
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0333 0.8188 1
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0197 0.0096
Loa Loa (eye worm) hexokinase 0.0054 0.105 0.1116
Brugia malayi A-kinase anchor protein 10, precursor 0.0021 0.0197 0.0677
Echinococcus granulosus hexokinase type 2 0.0086 0.1872 0.1773
Plasmodium falciparum thioredoxin reductase 0.0051 0.0976 0.3628
Echinococcus multilocularis hexokinase type 2 0.0086 0.1872 0.1773
Leishmania major DNA polymerase kappa, putative 0.0018 0.0123 0.0182
Trypanosoma cruzi trypanothione reductase, putative 0.0051 0.0976 0.1724
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.012 0.5
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0023 0.0254 0.042
Toxoplasma gondii thioredoxin reductase 0.0051 0.0976 0.3654
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1078 0.097
Echinococcus multilocularis thioredoxin glutathione reductase 0.0051 0.0976 0.0866
Echinococcus multilocularis dna polymerase eta 0.0085 0.1841 0.1742
Trichomonas vaginalis chromobox protein, putative 0.0075 0.1596 0.6407
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0023 0.0254 0.042
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.011 0.2478 1
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0206 0.0106
Echinococcus granulosus hexokinase 0.0086 0.1872 0.1773
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0345 0.0584
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0101 0.2248 1
Trypanosoma brucei hexokinase, putative 0.0086 0.1872 0.3343
Trypanosoma brucei unspecified product 0.0079 0.1689 0.3013
Echinococcus multilocularis bloom syndrome protein 0.0026 0.0331 0.0214
Echinococcus granulosus Regulator of G protein signaling 20 0.0021 0.0197 0.0078
Brugia malayi Bloom's syndrome protein homolog 0.0026 0.0331 0.1136
Entamoeba histolytica hypothetical protein 0.0021 0.0197 0.0777
Brugia malayi hexokinase 0.0086 0.1872 0.6418
Loa Loa (eye worm) PHD-finger family protein 0.0032 0.0474 0.0399
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.012 0.0178
Schistosoma mansoni jumonji/arid domain-containing protein 0.0038 0.0644 0.0649
Mycobacterium ulcerans DNA polymerase IV 0.0086 0.1872 0.8232
Brugia malayi ImpB/MucB/SamB family protein 0.0085 0.1841 0.6313
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0103 0.231 0.2216
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.2282 0.9201
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0314 0.119
Trypanosoma brucei trypanothione reductase 0.0051 0.0976 0.1724
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0065 0.1319 0.2343
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0023 0.0254 0.0136
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.012 0.0018
Plasmodium vivax glutathione reductase, putative 0.0051 0.0976 0.364
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0021 0.0206 0.0065
Echinococcus multilocularis regulator of G protein signaling 3 0.0021 0.0197 0.0078
Leishmania major DNA polymerase eta, putative 0.0045 0.0828 0.1457
Schistosoma mansoni blooms syndrome DNA helicase 0.0021 0.0192 0.0088
Mycobacterium tuberculosis Conserved hypothetical protein 0.0057 0.1136 0.3544
Schistosoma mansoni terminal deoxycytidyl transferase 0.0057 0.1136 0.1259
Echinococcus granulosus axis inhibition protein axin 0.0021 0.0197 0.0078
Trypanosoma brucei hypothetical protein, conserved 0.023 0.5556 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.2282 0.9201
Loa Loa (eye worm) hypothetical protein 0.0131 0.3012 0.3558
Loa Loa (eye worm) hexokinase 0.0027 0.0349 0.0243
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0345 0.0584
Trypanosoma cruzi hypothetical protein, conserved 0.0018 0.0123 0.0182
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.012 0.0178
Echinococcus granulosus PHD finger protein rhinoceros 0.0032 0.0474 0.0358
Plasmodium vivax importin-beta 2, putative 0.0031 0.0465 0.1477
Brugia malayi Regulator of G protein signaling domain containing protein 0.0021 0.0197 0.0677
Brugia malayi Regulator of G protein signaling domain containing protein 0.0021 0.0197 0.0677
Toxoplasma gondii hexokinase 0.0086 0.1872 0.7439
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.2282 0.7824
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0033 0.0522 0.0904
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0086 0.1872 0.7533
Echinococcus multilocularis hexokinase 0.0086 0.1872 0.1773
Brugia malayi Hexokinase family protein 0.0054 0.105 0.3601
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.012 0.0178
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0101 0.2248 0.4023
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.2282 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0314 0.119
Brugia malayi Hexokinase family protein 0.0086 0.1872 0.6418
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.012 0.0178
Schistosoma mansoni jumonji domain containing protein 0.0082 0.1767 0.2041
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0021 0.0206 0.0706
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Trichomonas vaginalis DNA helicase recq1, putative 0.0026 0.0331 0.126
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.012 0.0178
Schistosoma mansoni importin beta-1 0.0031 0.0465 0.0427
Onchocerca volvulus 0.0086 0.1872 0.7732
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Echinococcus granulosus lysine specific demethylase 5A 0.0038 0.0644 0.053
Echinococcus multilocularis Regulator of G protein signaling 20 0.0021 0.0197 0.0078
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.1596 0.1795
Trypanosoma brucei hexokinase 0.0086 0.1872 0.3343
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0019 0.0154 0.0034
Brugia malayi latrophilin 2 splice variant baaae 0.0041 0.0718 0.2463
Echinococcus granulosus dna polymerase eta 0.0085 0.1841 0.1742
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Echinococcus granulosus regulator of G protein signaling 3 0.0021 0.0197 0.0078
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0023 0.0254 0.0606
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0127 0.2916 0.283
Loa Loa (eye worm) hypothetical protein 0.0021 0.0197 0.0055
Loa Loa (eye worm) hypothetical protein 0.0032 0.0474 0.0399
Giardia lamblia DINP protein human, muc B family 0.0065 0.1319 0.5082
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0045 0.0828 0.3029
Plasmodium vivax thioredoxin reductase, putative 0.0051 0.0976 0.364
Brugia malayi RNA, U transporter 1 0.0089 0.1937 0.6641
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0019 0.0154 0.0034
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.012 0.0401
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.2282 0.9201
Echinococcus multilocularis jumonji domain containing protein 0.0044 0.079 0.0678
Trypanosoma brucei DNA polymerase IV, putative 0.0086 0.1872 0.3343
Loa Loa (eye worm) jmjC domain-containing protein 0.0038 0.0644 0.061
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0101 0.2248 1
Echinococcus multilocularis snurportin 1 0.0333 0.8188 0.8166
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.012 0.0178
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.012 0.0178
Loa Loa (eye worm) hypothetical protein 0.0021 0.0197 0.0055
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0197 0.0715
Entamoeba histolytica Ran family GTPase 0.0023 0.0254 0.1029
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.012 0.0178
Leishmania major GTP-binding protein, putative 0.0023 0.0254 0.042
Loa Loa (eye worm) hypothetical protein 0.0021 0.0197 0.0055
Echinococcus granulosus hexokinase 0.0086 0.1872 0.1773
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.2282 0.4084
Schistosoma mansoni chromobox protein 0.0075 0.1596 0.1828
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.012 0.0178
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.013 0.2986 1
Trichomonas vaginalis chromobox protein, putative 0.0046 0.083 0.329
Trypanosoma cruzi DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Echinococcus granulosus GTP binding nuclear protein Ran 0.0023 0.0254 0.0136
Leishmania major DNA polymerase eta, putative 0.0085 0.1841 0.3287
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0117 0.2653 0.8837
Loa Loa (eye worm) hypothetical protein 0.0021 0.0197 0.0055
Brugia malayi chromobox protein homolog 3 0.0042 0.0748 0.2565
Giardia lamblia DNA damage repair protein 0.0018 0.0123 0.001
Loa Loa (eye worm) hypothetical protein 0.0033 0.0514 0.0449
Schistosoma mansoni axis inhibition protein axin 0.0021 0.0197 0.0096
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.012 0.004
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0057 0.1136 0.1028
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0345 0.0584
Echinococcus granulosus citrate lyase subunit beta protein 0.0027 0.0345 0.0227
Schistosoma mansoni DNA polymerase IV / kappa 0.0018 0.0123 0.0003
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0117 0.2653 0.8837
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0474 0.1534
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0206 0.0106
Echinococcus multilocularis GPCR, family 2 0.0019 0.0154 0.0034
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0206 0.0106
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0101 0.2248 0.2637
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0748 0.1516
Echinococcus multilocularis chromobox protein 1 0.0075 0.1596 0.1493
Echinococcus granulosus peregrin 0.0032 0.0474 0.0358
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0019 0.0154 0.0034
Echinococcus granulosus chromobox protein 1 0.0075 0.1596 0.1493
Brugia malayi Calcitonin receptor-like protein seb-1 0.006 0.1205 0.4133
Trypanosoma cruzi hexokinase, putative 0.0086 0.1872 0.3343
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0863 0.1519
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0019 0.0154 0.0527
Echinococcus multilocularis PHD finger protein rhinoceros 0.0032 0.0474 0.0358
Brugia malayi hypothetical protein 0.0021 0.0197 0.0677
Loa Loa (eye worm) RGS-3 protein 0.0021 0.0197 0.0055
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0021 0.0197 0.0078
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0197 0.0715
Trichomonas vaginalis ran, putative 0.0023 0.0254 0.0946
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0023 0.0254 0.0568
Giardia lamblia PHD finger protein 15 0.0032 0.0474 0.1499
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Trypanosoma brucei DNA polymerase IV, putative 0.0086 0.1872 0.3343
Echinococcus multilocularis axis inhibition protein axin 0.0021 0.0197 0.0078
Entamoeba histolytica hexokinase 2 0.0086 0.1872 0.8186
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0197 0.0715
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.2282 0.4084
Brugia malayi hypothetical protein 0.0021 0.0197 0.0677
Schistosoma mansoni axis inhibition protein axin 0.0021 0.0197 0.0096
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0032 0.0474 0.0438
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0021 0.0197 0.0055
Trypanosoma brucei DNA polymerase eta, putative 0.0085 0.1841 0.3287
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.012 0.0413
Trypanosoma cruzi hexokinase, putative 0.0086 0.1872 0.3343
Echinococcus granulosus regulator of G protein signaling 3 0.0021 0.0197 0.0078
Plasmodium vivax DNA repair protein REV1, putative 0.0018 0.0123 0.0028
Loa Loa (eye worm) hypothetical protein 0.0085 0.1841 0.21
Brugia malayi PHD-finger family protein 0.0032 0.0474 0.1625
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.2282 0.2649
Loa Loa (eye worm) hypothetical protein 0.0021 0.0197 0.0055
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0027 0.0345 0.0784
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.2282 0.9201
Plasmodium falciparum glutathione reductase 0.0051 0.0976 0.3628
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0057 0.1136 0.1223
Echinococcus multilocularis regulator of G protein signaling 0.0021 0.0197 0.0078
Onchocerca volvulus 0.0033 0.0514 0.0224
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.011 0.2478 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0051 0.0976 0.2985
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0197 0.0715
Echinococcus granulosus thioredoxin glutathione reductase 0.0051 0.0976 0.0866
Loa Loa (eye worm) hypothetical protein 0.0027 0.0368 0.0267
Mycobacterium tuberculosis Conserved protein 0.0027 0.0345 0.0784
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1078 0.1187
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0432 0.1671
Schistosoma mansoni regulator of G protein signaling 0.0021 0.0197 0.0096
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.2282 1
Trypanosoma brucei unspecified product 0.004 0.068 0.1189
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.012 0.0401
Trypanosoma cruzi DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Brugia malayi PXA domain containing protein 0.0021 0.0197 0.0677
Loa Loa (eye worm) hypothetical protein 0.0031 0.0465 0.0388
Echinococcus multilocularis regulator of G protein signaling 3 0.0021 0.0197 0.0078
Echinococcus granulosus regulator of G protein signaling 7 0.0021 0.0197 0.0078
Loa Loa (eye worm) pigment dispersing factor receptor c 0.006 0.1205 0.1309
Trichomonas vaginalis conserved hypothetical protein 0.0021 0.0197 0.0715
Schistosoma mansoni z-protein (S1r protein) 0.0021 0.0197 0.0096
Echinococcus multilocularis peregrin 0.0032 0.0474 0.0358
Trypanosoma brucei DNA polymerase kappa, putative 0.0086 0.1872 0.3343
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0117 0.2653 0.8837
Brugia malayi polk-prov protein 0.0047 0.0859 0.2945
Echinococcus granulosus dna polymerase kappa 0.0086 0.1872 0.1773
Toxoplasma gondii PHD-finger domain-containing protein 0.0032 0.0474 0.1534
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0023 0.0254 0.0568
Brugia malayi ImpB/MucB/SamB family protein 0.0057 0.1136 0.3895
Brugia malayi glucose-6-phosphate dehydrogenase 0.0101 0.2248 0.7709
Brugia malayi regulator of G-protein signaling rgs-7 0.0021 0.0197 0.0677
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.012 0.0178
Echinococcus multilocularis hexokinase 0.0086 0.1872 0.1773
Echinococcus granulosus bloom syndrome protein 0.0026 0.0331 0.0214
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1078 0.3698
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0127 0.2916 0.3439
Trichomonas vaginalis DNA helicase recq, putative 0.0026 0.0331 0.126
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.2282 0.4084
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0018 0.0123 0.0051
Trypanosoma brucei DNA polymerase IV, putative 0.0079 0.1689 0.3013
Leishmania major DNA polymerase kappa, putative 0.0065 0.1319 0.2343
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0027 0.0345 0.1316
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0101 0.2248 1
Trypanosoma brucei unspecified product 0.004 0.068 0.1189
Trypanosoma cruzi DNA damage repair protein, putative 0.0018 0.0123 0.0182
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0021 0.0197 0.0096
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0023 0.0254 0.0585
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0828 0.1457
Trypanosoma brucei DNA polymerase kappa, putative 0.0047 0.0863 0.1519
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.2282 0.9201
Mycobacterium tuberculosis Probable oxidoreductase 0.013 0.2986 1
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0057 0.1136 0.1028
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0127 0.2916 1
Schistosoma mansoni hypothetical protein 0.0333 0.8188 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 7.0795 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) 25.9185 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) 79.4328 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] 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.
 
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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