Detailed information for compound 1369394

Basic information

Technical information
  • TDR Targets ID: 1369394
  • Name: N-(2,3-dihydro-1,4-benzodioxin-7-yl)-6-[[4-(2 -fluorophenyl)piperazin-1-yl]methyl]-1,3,5-tr iazine-2,4-diamine
  • MW: 437.47 | Formula: C22H24FN7O2
  • H donors: 2 H acceptors: 3 LogP: 2.78 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: Nc1nc(CN2CCN(CC2)c2ccccc2F)nc(n1)Nc1ccc2c(c1)OCCO2
  • InChi: 1S/C22H24FN7O2/c23-16-3-1-2-4-17(16)30-9-7-29(8-10-30)14-20-26-21(24)28-22(27-20)25-15-5-6-18-19(13-15)32-12-11-31-18/h1-6,13H,7-12,14H2,(H3,24,25,26,27,28)
  • InChiKey: IEEPPVDOFKIYKY-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-(2,3-dihydro-1,4-benzodioxin-7-yl)-6-[[4-(2-fluorophenyl)-1-piperazinyl]methyl]-1,3,5-triazine-2,4-diamine
  • [4-amino-6-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-s-triazin-2-yl]-(2,3-dihydro-1,4-benzodioxin-7-yl)amine
  • MLS000559503
  • N-(2,3-Dihydro-benzo[1,4]dioxin-6-yl)-6-[4-(2-fluoro-phenyl)-piperazin-1-ylmethyl]-[1,3,5]triazine-2,4-dia mine
  • SMR000149619
  • BAS 11215661

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens arachidonate 15-lipoxygenase, type B Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus granulosus arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma japonicum IPR001024,Lipoxygenase, LH2;IPR013819,Lipoxygenase, C-terminal,domain-containing Get druggable targets OG5_127482 All targets in OG5_127482
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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 arachidonate 5 lipoxygenase Get druggable targets OG5_127482 All targets in OG5_127482
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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K00461 arachidonate 5-lipoxygenase [EC1.13.11.34], putative Get druggable targets OG5_127482 All targets in OG5_127482
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 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans lipase LipD 0.0035 0.0083 0.1426
Echinococcus multilocularis BC026374 protein (S09 family) 0.0095 0.0461 0.0447
Brugia malayi jmjC domain containing protein 0.007 0.0306 0.0905
Brugia malayi beta-lactamase family protein 0.0035 0.0083 0.0245
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0083 0.0512
Brugia malayi Doublecortin family protein 0.0024 0.0015 0.0045
Schistosoma mansoni alpha-glucosidase 0.0145 0.0771 0.0846
Onchocerca volvulus 0.0509 0.3041 1
Loa Loa (eye worm) hypothetical protein 0.0564 0.3387 1
Echinococcus granulosus acetylcholinesterase 0.0564 0.3387 0.3706
Onchocerca volvulus 0.0064 0.0267 0.0831
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0168 0.0917 0.2675
Echinococcus multilocularis thyroid hormone receptor alpha 0.0114 0.0576 0.0562
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0211 0.0232
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0083 0.0512
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0059 0.0232 0.0217
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0232 0.4796
Echinococcus multilocularis peregrin 0.0058 0.023 0.0215
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0064 0.0267 1
Brugia malayi Glycosyl hydrolases family 31 protein 0.0168 0.0917 0.2708
Brugia malayi Carboxylesterase family protein 0.0095 0.0461 0.1362
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0095 0.0461 0.0506
Echinococcus multilocularis neuroligin 0.0095 0.0461 0.0447
Onchocerca volvulus 0.0095 0.0461 0.1475
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0062 0.0252 0.026
Echinococcus granulosus acetylcholinesterase 0.0564 0.3387 0.3706
Loa Loa (eye worm) hypothetical protein 0.0039 0.011 0.0281
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.01 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0045 0.0147 0.0393
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.01 1
Schistosoma mansoni thyroid hormone receptor 0.0114 0.0576 0.0632
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.01 0.0056
Schistosoma mansoni neuroligin 3 (S09 family) 0.0095 0.0461 0.0506
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.01 1
Echinococcus multilocularis microtubule associated protein 2 0.1482 0.9114 0.9112
Toxoplasma gondii aldehyde dehydrogenase 0.0059 0.0232 0.8106
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.01 0.0056
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0211 0.0196
Loa Loa (eye worm) carboxylesterase 0.0095 0.0461 0.1323
Schistosoma mansoni loxhd1 0.0024 0.0015 0.0017
Loa Loa (eye worm) hypothetical protein 0.0039 0.011 0.0281
Onchocerca volvulus 0.0084 0.0391 0.1242
Schistosoma mansoni lamin 0.0084 0.0391 0.0429
Schistosoma mansoni BC026374 protein (S09 family) 0.0095 0.0461 0.0506
Brugia malayi jmjC domain containing protein 0.0191 0.1057 0.312
Echinococcus multilocularis acetylcholinesterase 0.0564 0.3387 0.3377
Loa Loa (eye worm) hypothetical protein 0.0025 0.002 0.0015
Schistosoma mansoni intermediate filament proteins 0.0084 0.0391 0.0429
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0211 0.0216
Onchocerca volvulus 0.0095 0.0461 0.1475
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0083 0.0091
Schistosoma mansoni hypothetical protein 0.0205 0.1144 0.1255
Onchocerca volvulus 0.0035 0.0083 0.0225
Echinococcus multilocularis geminin 0.0205 0.1144 0.113
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0083 0.2705
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0211 0.0196
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0083 0.1426
Echinococcus granulosus para nitrobenzyl esterase 0.0095 0.0461 0.0491
Mycobacterium tuberculosis Conserved protein 0.0035 0.0083 0.0512
Schistosoma mansoni gliotactin 0.0095 0.0461 0.0506
Loa Loa (eye worm) hypothetical protein 0.0035 0.0083 0.0202
Loa Loa (eye worm) hypothetical protein 0.0095 0.0461 0.1323
Loa Loa (eye worm) hypothetical protein 0.0095 0.0461 0.1323
Loa Loa (eye worm) carboxylesterase 0.0564 0.3387 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0083 0.0075
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.023 0.8005
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.01 0.0056
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0564 0.3387 0.3717
Echinococcus granulosus PHD finger protein rhinoceros 0.0058 0.023 0.0236
Loa Loa (eye worm) hypothetical protein 0.0041 0.012 0.031
Echinococcus granulosus lamin dm0 0.0084 0.0391 0.0413
Echinococcus multilocularis lysine specific demethylase 5A 0.007 0.0306 0.0292
Loa Loa (eye worm) hypothetical protein 0.0084 0.0391 0.1115
Echinococcus granulosus lysosomal alpha glucosidase 0.0168 0.0917 0.0992
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.01 0.0093
Schistosoma mansoni hypothetical protein 0.0058 0.023 0.0252
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0211 0.0232
Brugia malayi beta-lactamase 0.0035 0.0083 0.0245
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0447 0.2655 0.783
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0083 0.0091
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0232 0.0254
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0211 0.0216
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.0917 0.0904
Schistosoma mansoni lipoxygenase 0.0142 0.0755 0.0829
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.01 0.0904
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0267 0.0292
Loa Loa (eye worm) hypothetical protein 0.0035 0.0083 0.0202
Echinococcus multilocularis jumonji domain containing protein 0.0081 0.0372 0.0358
Schistosoma mansoni polycystin 1-related 0.0024 0.0015 0.0017
Mycobacterium ulcerans hypothetical protein 0.0035 0.0083 0.1426
Echinococcus granulosus lysine specific demethylase 5A 0.007 0.0306 0.032
Brugia malayi PHD-finger family protein 0.0058 0.023 0.0679
Schistosoma mansoni aldehyde dehydrogenase 0.0059 0.0232 0.0254
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0267 0.0292
Echinococcus granulosus jumonji domain containing protein 0.0081 0.0372 0.0393
Schistosoma mansoni lipoxygenase 0.01 0.0488 0.0535
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.01 0.0056
Brugia malayi AMP-binding enzyme family protein 0.0025 0.002 0.006
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0142 0.0755 0.0814
Schistosoma mansoni hypothetical protein 0.0024 0.0015 0.0017
Onchocerca volvulus 0.0025 0.002 0.0017
Brugia malayi Pre-SET motif family protein 0.0447 0.2655 0.7839
Schistosoma mansoni rab6-interacting 0.0024 0.0015 0.0017
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0083 0.0512
Plasmodium vivax SET domain protein, putative 0.0064 0.0267 1
Echinococcus granulosus microtubule associated protein 2 0.1482 0.9114 1
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0064 0.0267 0.0252
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0191 0.1057 0.1043
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.01 0.0251
Echinococcus multilocularis lamin dm0 0.0084 0.0391 0.0376
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.01 0.0056
Brugia malayi AMP-binding enzyme family protein 0.0025 0.002 0.006
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0095 0.0461 0.0447
Mycobacterium leprae Probable lipase LipE 0.0035 0.0083 1
Loa Loa (eye worm) hypothetical protein 0.0095 0.0461 0.1323
Schistosoma mansoni jumonji domain containing protein 0.0152 0.0812 0.0891
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.01 0.0294
Schistosoma mansoni jumonji/arid domain-containing protein 0.007 0.0306 0.0336
Trypanosoma brucei glucosidase, putative 0.0037 0.01 1
Brugia malayi Pre-SET motif family protein 0.0064 0.0267 0.0787
Onchocerca volvulus Alhambra homolog 0.0058 0.023 0.071
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0083 0.0068
Loa Loa (eye worm) hypothetical protein 0.0025 0.002 0.0015
Schistosoma mansoni jumonji/arid domain-containing protein 0.007 0.0306 0.0336
Loa Loa (eye worm) hypothetical protein 0.0095 0.0461 0.1323
Brugia malayi Carboxylesterase family protein 0.0095 0.0461 0.1362
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0083 0.0512
Schistosoma mansoni acetylcholinesterase 0.0095 0.0461 0.0506
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0232 0.4796
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0059 0.0232 0.0238
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0059 0.0232 0.172
Brugia malayi hypothetical protein 0.0024 0.0015 0.0045
Schistosoma mansoni hypothetical protein 0.0205 0.1144 0.1255
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0191 0.1057 0.1145
Brugia malayi AMP-binding enzyme family protein 0.0025 0.002 0.006
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0041 0.012 0.0105
Leishmania major hypothetical protein, conserved 0.0035 0.0083 0.2974
Loa Loa (eye worm) beta-lactamase 0.0035 0.0083 0.0202
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0064 0.0267 0.0252
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0105 0.0524 0.0509
Brugia malayi Bromodomain containing protein 0.0058 0.023 0.0679
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0095 0.0461 0.1279
Loa Loa (eye worm) hypothetical protein 0.0035 0.0083 0.0202
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0083 0.0245
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0211 0.0582
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0083 0.0512
Brugia malayi Carboxylesterase family protein 0.0564 0.3387 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0059 0.0232 0.4796
Loa Loa (eye worm) hypothetical protein 0.0082 0.0381 0.1086
Echinococcus granulosus geminin 0.0205 0.1144 0.124
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0064 0.0267 0.0292
Loa Loa (eye worm) carboxylesterase 0.0095 0.0461 0.1323
Brugia malayi Carboxylesterase family protein 0.0095 0.0461 0.1362
Echinococcus multilocularis acetylcholinesterase 0.0564 0.3387 0.3377
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.01 0.0056
Loa Loa (eye worm) hypothetical protein 0.0095 0.0461 0.1323
Brugia malayi beta-lactamase family protein 0.0035 0.0083 0.0245
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0142 0.0755 0.0741
Onchocerca volvulus 0.0095 0.0461 0.1475
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0222 0.125 1
Loa Loa (eye worm) acetylcholinesterase 1 0.0564 0.3387 1
Onchocerca volvulus 0.0095 0.0461 0.1475
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0211 0.0624
Onchocerca volvulus 0.0084 0.0391 0.1242
Mycobacterium tuberculosis Conserved protein 0.0035 0.0083 0.0512
Onchocerca volvulus 0.0097 0.0474 0.1518
Echinococcus granulosus peregrin 0.0058 0.023 0.0236
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0083 0.0512
Schistosoma mansoni microtubule-associated protein tau 0.1482 0.9114 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0083 0.0202
Echinococcus granulosus neuroligin 0.0095 0.0461 0.0491
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0059 0.0232 1
Echinococcus granulosus carboxylesterase 5A 0.0564 0.3387 0.3706
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.01 0.0056
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0084 0.0391 0.1115
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.01 0.0056
Echinococcus multilocularis PHD finger protein rhinoceros 0.0058 0.023 0.0215
Onchocerca volvulus 0.0035 0.0083 0.0225
Schistosoma mansoni rab6-interacting 0.0024 0.0015 0.0017
Loa Loa (eye worm) hypothetical protein 0.01 0.049 0.1407
Echinococcus granulosus BC026374 protein S09 family 0.0095 0.0461 0.0491
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0058 0.023 0.0252
Echinococcus multilocularis para nitrobenzyl esterase 0.0095 0.0461 0.0447
Echinococcus multilocularis musashi 0.0084 0.0391 0.0376
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0041 0.012 0.0115
Trichomonas vaginalis set domain proteins, putative 0.0509 0.3041 1
Onchocerca volvulus 0.0035 0.0083 0.0225
Brugia malayi hypothetical protein 0.0024 0.0015 0.0045
Mycobacterium tuberculosis Carboxylesterase LipT 0.0095 0.0461 0.3587
Schistosoma mansoni lamin 0.0084 0.0391 0.0429
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0083 0.1426
Plasmodium falciparum phd finger protein, putative 0.0058 0.023 1
Toxoplasma gondii PHD-finger domain-containing protein 0.0058 0.023 0.8005
Loa Loa (eye worm) hypothetical protein 0.0035 0.0083 0.0202
Brugia malayi Intermediate filament tail domain containing protein 0.0084 0.0391 0.1154
Echinococcus granulosus histone lysine methyltransferase setb 0.0064 0.0267 0.0276
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.01 0.0085
Loa Loa (eye worm) hypothetical protein 0.0095 0.0461 0.1323
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.01 0.3757
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0095 0.0461 0.3587
Loa Loa (eye worm) jmjC domain-containing protein 0.007 0.0306 0.0864
Brugia malayi cytoplasmic intermediate filament protein 0.0045 0.0147 0.0435
Schistosoma mansoni alpha-glucosidase 0.0145 0.0771 0.0846
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0083 1
Echinococcus granulosus intermediate filament protein 0.0084 0.0391 0.0413
Brugia malayi hypothetical protein 0.0095 0.0461 0.1362
Plasmodium vivax hypothetical protein, conserved 0.0058 0.023 0.8544
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0064 0.0267 0.0292
Loa Loa (eye worm) jmjC domain-containing protein 0.012 0.0617 0.1785
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0095 0.0461 0.0491
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.01 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0083 0.0512
Onchocerca volvulus 0.0095 0.0461 0.1475
Brugia malayi intermediate filament protein 0.0084 0.0391 0.1154
Loa Loa (eye worm) hypothetical protein 0.0095 0.0461 0.1323
Giardia lamblia PHD finger protein 15 0.0058 0.023 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0083 0.0202
Schistosoma mansoni thyroid hormone receptor 0.0114 0.0576 0.0632
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0095 0.0461 0.3587
Echinococcus granulosus lamin 0.0084 0.0391 0.0413
Trichomonas vaginalis spcc417.12 protein, putative 0.0095 0.0461 0.1279
Loa Loa (eye worm) hypothetical protein 0.0035 0.0083 0.0202
Schistosoma mansoni hypothetical protein 0.0105 0.0524 0.0575
Echinococcus multilocularis lamin 0.0084 0.0391 0.0376
Mycobacterium ulcerans carboxylesterase, LipT 0.0095 0.0461 1
Brugia malayi Carboxylesterase family protein 0.0095 0.0461 0.1362
Loa Loa (eye worm) hypothetical protein 0.0025 0.002 0.0015
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0095 0.0461 0.0506
Mycobacterium ulcerans beta-lactamase 0.0035 0.0083 0.1426
Echinococcus multilocularis carboxylesterase 5A 0.0564 0.3387 0.3377
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0105 0.0524 0.0559
Brugia malayi Carboxylesterase family protein 0.0564 0.3387 1
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0095 0.0461 0.0506
Mycobacterium tuberculosis Conserved protein 0.0035 0.0083 0.0512
Loa Loa (eye worm) hypothetical protein 0.0064 0.0267 0.0746
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0211 0.0232
Loa Loa (eye worm) PHD-finger family protein 0.0058 0.023 0.0637
Echinococcus multilocularis lysosomal alpha glucosidase 0.0168 0.0917 0.0904
Loa Loa (eye worm) intermediate filament protein 0.0084 0.0391 0.1115
Loa Loa (eye worm) hypothetical protein 0.0564 0.3387 1
Loa Loa (eye worm) hypothetical protein 0.0058 0.023 0.0637
Schistosoma mansoni alpha glucosidase 0.0037 0.01 0.0109
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.01 0.0056

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5119 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO-2 (15-human lipoxygenase 2). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2312, AID2537, AID2702] ChEMBL. No reference
Potency (functional) 8.2753 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) 11.2202 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) 14.7157 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) 18.3564 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference
Potency (functional) 23.1093 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) 35.4813 uM PubChem BioAssay. qHTS Assay to Identify Small Molecule Activators of BRCA1 Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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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