Detailed information for compound 370113

Basic information

Technical information
  • TDR Targets ID: 370113
  • Name: 1-(3-amino-1,2-benzoxazol-5-yl)-6-[2-fluoro-4 -[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-3-( trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]py ridin-7-one
  • MW: 590.571 | Formula: C31H26F4N6O2
  • H donors: 1 H acceptors: 3 LogP: 5.68 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 2
  • SMILES: Fc1cc(ccc1N1CCc2c(C1=O)n(nc2C(F)(F)F)c1ccc2c(c1)c(N)no2)c1ccccc1CN1CCCC1
  • InChi: 1S/C31H26F4N6O2/c32-24-15-18(21-6-2-1-5-19(21)17-39-12-3-4-13-39)7-9-25(24)40-14-11-22-27(30(40)42)41(37-28(22)31(33,34)35)20-8-10-26-23(16-20)29(36)38-43-26/h1-2,5-10,15-16H,3-4,11-14,17H2,(H2,36,38)
  • InChiKey: KVMNDDXISQYKQH-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-(3-amino-1,2-benzoxazol-5-yl)-6-[2-fluoro-4-[2-(1-pyrrolidinylmethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
  • 1-(3-azanyl-1,2-benzoxazol-5-yl)-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
  • 1-(3-aminoindoxazen-5-yl)-6-[2-fluoro-4-[2-(pyrrolidinomethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
  • 1-(3-amino-1,2-benzoxazol-5-yl)-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
  • 1-(3-amino-1,2-benzoxazol-5-yl)-6-[2-fluoro-4-[2-(1-pyrrolidinylmethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
  • 1-(3-aminoindoxazen-5-yl)-6-[2-fluoro-4-[2-(pyrrolidin-1-ylmethyl)phenyl]phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens coagulation factor X Starlite/ChEMBL References

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0028 0.0036 0.0131
Schistosoma mansoni hypothetical protein 0.0014 0.0013 0.0184
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0024 0.0087
Loa Loa (eye worm) hypothetical protein 0.0011 0.0009 0.0164
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0011 0.0008 0.0106
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0031 0.0632
Echinococcus granulosus acetylcholinesterase 0.0068 0.0103 0.144
Schistosoma mansoni hypothetical protein 0.0325 0.0536 0.749
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0017 0.0018 0.0337
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0011 0.0008 0.0106
Loa Loa (eye worm) hypothetical protein 0.0158 0.0255 0.4753
Brugia malayi Muscleblind-like protein 0.0158 0.0255 0.035
Schistosoma mansoni Smad4 0.0009 0.0004 0.0057
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0141
Plasmodium falciparum telomerase reverse transcriptase 0.1629 0.2724 1
Loa Loa (eye worm) hypothetical protein 0.0006 0 0.0008
Entamoeba histolytica hypothetical protein 0.0038 0.0053 0.0522
Echinococcus multilocularis BRK domain 0.0012 0.001 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Brugia malayi ecdysteroid receptor 0.0011 0.0008 0.001
Brugia malayi Fibulin-1 precursor 0.0016 0.0017 0.0023
Echinococcus granulosus acetylcholinesterase 0.0068 0.0103 0.144
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0105 0.0165 0.2436
Schistosoma mansoni DNA polymerase IV / kappa 0.0006 0 0.0003
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0045 0.0065 0.0238
Loa Loa (eye worm) hypothetical protein 0.003 0.0041 0.0761
Loa Loa (eye worm) isocitrate dehydrogenase 0.0017 0.0018 0.033
Toxoplasma gondii hypothetical protein 0.0089 0.014 0.0512
Echinococcus multilocularis BRK domain containing protein 0.0012 0.001 0.0143
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Echinococcus granulosus disco interacting protein 2 0.0041 0.0058 0.081
Echinococcus granulosus dnaJ subfamily B 0.0432 0.0715 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.002 0.0023 0.054
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0008 0.0106
Leishmania major mitochondrial DNA polymerase beta 0.0319 0.0525 0.1928
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0065 0.0238
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0018 0.0064
Giardia lamblia DINP protein human, muc B family 0.002 0.0024 0.0087
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0041 0.0149
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0011 0.0008 0.0106
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0008 0.0106
Echinococcus multilocularis laminin 0.0016 0.0017 0.0234
Echinococcus multilocularis cpg binding protein 0.0067 0.0103 0.1439
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0017 0.0018 0.0064
Schistosoma mansoni egf-like domain protein 0.0016 0.0017 0.0234
Onchocerca volvulus 0.0011 0.0009 0.0009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0011 0.0008 0.0141
Plasmodium falciparum DNA (cytosine-5)-methyltransferase 0.0021 0.0025 0.0091
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0041 0.0149
Brugia malayi MH1 domain containing protein 0.0009 0.0004 0.0006
Echinococcus multilocularis helicase 0.0006 0.000000000007248 0.00000000010135
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0018 0.0247
Onchocerca volvulus 0.0066 0.01 0.01
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0141
Loa Loa (eye worm) hypothetical protein 0.0011 0.0009 0.0164
Loa Loa (eye worm) hypothetical protein 0.0011 0.0009 0.0164
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0068 0.0103 0.144
Echinococcus granulosus laminin 0.0016 0.0017 0.0234
Leishmania major modification methylase-like protein 0.0021 0.0025 0.009
Echinococcus multilocularis Chromo domain 0.0012 0.001 0.0143
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0011 0.0008 0.0141
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0312
Toxoplasma gondii exonuclease III APE 0.002 0.0023 0.0083
Schistosoma mansoni polybromo-1 0.0007 0.0001 0.0009
Echinococcus multilocularis snurportin 1 0.0325 0.0536 0.749
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0017 0.0018 0.0065
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0312
Brugia malayi CXXC zinc finger family protein 0.0066 0.01 0.0138
Echinococcus granulosus mothers against decapentaplegic 5 0.0009 0.0004 0.0057
Toxoplasma gondii hypothetical protein 0.0051 0.0076 0.0278
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0141
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Plasmodium falciparum conserved Plasmodium protein, unknown function 0.0089 0.014 0.0513
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0002 0.0032
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.002 0.0023 0.0321
Echinococcus multilocularis geminin 0.0179 0.029 0.4058
Entamoeba histolytica hypothetical protein 0.0038 0.0053 0.0522
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0011 0.0009 0.0123
Brugia malayi Carboxylesterase family protein 0.0011 0.0009 0.0012
Brugia malayi isocitrate dehydrogenase 0.0017 0.0018 0.0024
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0011 0.0008 0.0106
Echinococcus granulosus global transcription activator snf2l2 0.0071 0.0109 0.1521
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0005 0.0101
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0041 0.0149
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0064 0.0098 0.1366
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0011 0.0008 0.0106
Loa Loa (eye worm) hypothetical protein 0.0011 0.0009 0.0164
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0011 0.0008 0.0106
Toxoplasma gondii RNA-directed DNA polymerase 0.1629 0.2724 1
Echinococcus multilocularis neuroligin 0.0011 0.0009 0.0123
Plasmodium falciparum flap endonuclease 1 0.0028 0.0036 0.0132
Brugia malayi Steroid receptor seven-up type 2 0.0011 0.0008 0.001
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0312
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.0525 0.1928
Toxoplasma gondii calcium binding egf domain-containing protein 0.0016 0.0017 0.006
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.0024 0.0334
Echinococcus granulosus neuroligin 0.0011 0.0009 0.0123
Echinococcus multilocularis acetylcholinesterase 0.0068 0.0103 0.144
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Brugia malayi Carboxylesterase family protein 0.0068 0.0103 0.0142
Plasmodium vivax DNA (cytosine-5)-methyltransferase, putative 0.0021 0.0025 0.0091
Loa Loa (eye worm) bone morphogenetic protein 1b 0.0016 0.0017 0.0312
Leishmania major telomerase reverse transcriptase, putative 0.1629 0.2724 1
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.0024 0.0087
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1629 0.2724 1
Trypanosoma brucei cytosine-specific DNA methylase, putative 0.0021 0.0025 0.009
Brugia malayi hypothetical protein 0.0038 0.0053 0.0074
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0057
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0011 0.0008 0.0106
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0011 0.0008 0.0106
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0011 0.0009 0.0123
Loa Loa (eye worm) steroid hormone receptor 0.0011 0.0008 0.0141
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.002 0.0023 0.0083
Loa Loa (eye worm) hypothetical protein 0.0068 0.0103 0.1923
Loa Loa (eye worm) low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0017 0.0312
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0011 0.0008 0.001
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0141
Onchocerca volvulus Arrow homolog 0.0016 0.0017 0.0017
Schistosoma mansoni acetylcholinesterase 0.0011 0.0009 0.0123
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0024 0.0087
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.002 0.0023 0.0083
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Echinococcus multilocularis dnaJ subfamily B 0.0432 0.0715 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0018 0.0247
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0017 0.0018 0.0247
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0018 0.0064
Echinococcus multilocularis BRK domain containing protein 0.0012 0.001 0.0143
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0011 0.0008 0.0106
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.002 0.0024 0.0479
Trichomonas vaginalis DNA polymerase eta, putative 0.002 0.0024 0.0479
Brugia malayi Carboxylesterase family protein 0.0011 0.0009 0.0012
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0053 0.0747
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0367 0.0606 1
Mycobacterium ulcerans hypothetical protein 0.0168 0.0272 0.5726
Echinococcus multilocularis global transcription activator snf2l2 0.0071 0.0109 0.1521
Plasmodium vivax importin-beta 2, putative 0.003 0.0041 0.015
Echinococcus granulosus carboxylesterase 5A 0.0068 0.0103 0.144
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.0243 0.0892
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0028 0.0036 0.0131
Trichomonas vaginalis spcc417.12 protein, putative 0.0011 0.0009 0.0161
Brugia malayi exodeoxyribonuclease III family protein 0.002 0.0023 0.0032
Echinococcus multilocularis BRK domain containing protein 0.0012 0.001 0.0143
Echinococcus multilocularis smad 0.0009 0.0004 0.0057
Schistosoma mansoni flap endonuclease-1 0.0025 0.0031 0.0439
Toxoplasma gondii C-5 cytosine-specific DNA methylase superfamily protein 0.0021 0.0025 0.009
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0011 0.0008 0.0106
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0017 0.0018 0.0247
Loa Loa (eye worm) hypothetical protein 0.0007 0.0001 0.0012
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.002 0.0023 0.0083
Schistosoma mansoni hypothetical protein 0.0179 0.029 0.4058
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.0024 0.0087
Onchocerca volvulus 0.0011 0.0009 0.0009
Echinococcus multilocularis FTZ F1 alpha 0.0011 0.0008 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0011 0.0008 0.001
Echinococcus multilocularis BRK domain containing protein 0.0012 0.001 0.0143
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0018 0.0064
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0011 0.0008 0.0141
Echinococcus multilocularis acetylcholinesterase 0.0068 0.0103 0.144
Trypanosoma brucei unspecified product 0.0014 0.0013 0.0048
Brugia malayi Carboxylesterase family protein 0.0011 0.0009 0.0012
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0089 0.0327
Echinococcus multilocularis Tolloid protein 1 0.0016 0.0017 0.0234
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0053 0.0747
Plasmodium falciparum DEAD/DEAH box helicase, putative 0.0011 0.0008 0.003
Echinococcus granulosus Tolloid protein 1 0.0016 0.0017 0.0234
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0011 0.0008 0.0106
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0017 0.0018 0.0247
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0001 0.0000098982
Trichomonas vaginalis flap endonuclease-1, putative 0.0028 0.0036 0.0732
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0028 0.0036 0.0131
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0005 0.0075
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0141
Echinococcus multilocularis importin subunit beta 1 0.003 0.0041 0.057
Loa Loa (eye worm) CXXC zinc finger family protein 0.0066 0.01 0.1867
Brugia malayi Isocitrate dehydrogenase 0.0017 0.0018 0.0024
Loa Loa (eye worm) hypothetical protein 0.0068 0.0103 0.1923
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0141
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0053 0.0747
Loa Loa (eye worm) MH2 domain-containing protein 0.0126 0.0201 0.376
Echinococcus granulosus cpg binding protein 0.0067 0.0103 0.1439
Echinococcus granulosus Chromo domain 0.0012 0.001 0.0143
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0024 0.0087
Echinococcus multilocularis muscleblind protein 1 0.0158 0.0255 0.356
Schistosoma mansoni helicase 0.0071 0.0109 0.1521
Echinococcus granulosus muscleblind protein 0.0158 0.0255 0.356
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0024 0.0033
Schistosoma mansoni disco-interacting protein 2 (dip2) 0.0041 0.0058 0.081
Brugia malayi SET domain containing protein 0.0007 0.0002 0.0002
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0031 0.0632
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0023 0.0084
Trypanosoma brucei unspecified product 0.002 0.0024 0.0087
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.002 0.0023 0.0479
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0319 0.0525 0.1928
Brugia malayi Carboxylesterase family protein 0.0068 0.0103 0.0142
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0001 0.0000098982
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0045 0.0065 0.0238
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0017 0.0018 0.0064
Brugia malayi MH2 domain containing protein 0.0009 0.0004 0.0006
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0011 0.0008 0.0106
Loa Loa (eye worm) glutaminase 2 0.0289 0.0475 0.8859
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0008 0.001
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.002 0.0023 0.0083
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0312
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.002 0.0023 0.0429
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0001 0.0000098982
Loa Loa (eye worm) BRM protein 0.0045 0.0066 0.1227
Brugia malayi Telomerase reverse transcriptase 0.4334 0.7266 1
Schistosoma mansoni cpg binding protein 0.0066 0.01 0.1398
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0017 0.0018 0.0065
Brugia malayi nuclear hormone receptor 0.0011 0.0008 0.001
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0009 0.0004 0.0057
Giardia lamblia Telomerase catalytic subunit 0.1629 0.2724 1
Echinococcus multilocularis thyroid hormone receptor alpha 0.0011 0.0008 0.0106
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0011 0.0008 0.001
Schistosoma mansoni hypothetical protein 0.0012 0.001 0.0143
Toxoplasma gondii DNA methyltransferase 2, putative 0.0021 0.0025 0.009
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0011 0.0008 0.0141
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0005 0.0075
Brugia malayi polybromodomain protein 0.0007 0.0001 0.0001
Leishmania major importin beta-1 subunit, putative 0.0025 0.0031 0.0113
Schistosoma mansoni ap endonuclease 0.002 0.0023 0.0321
Echinococcus multilocularis mothers against decapentaplegic 5 0.0009 0.0004 0.0057
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.0024 0.0087
Echinococcus multilocularis fibrillin 1 0.0016 0.0017 0.0234
Onchocerca volvulus 0.0011 0.0009 0.0009
Mycobacterium ulcerans glutaminase 0.0289 0.0475 1
Toxoplasma gondii calcium binding egf domain-containing protein 0.0016 0.0017 0.006
Mycobacterium ulcerans carboxylesterase, LipT 0.0011 0.0009 0.018
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0031 0.0632
Echinococcus granulosus TGF beta signal transducer SmadC 0.0009 0.0004 0.0057
Onchocerca volvulus 0.0041 0.0058 0.0058
Echinococcus granulosus ecdysone induced protein 78C 0.0011 0.0008 0.0106
Schistosoma mansoni hypothetical protein 0.0432 0.0715 1
Giardia lamblia Flap structure-specific endonuclease 0.0028 0.0036 0.0131
Brugia malayi RNA, U transporter 1 0.0087 0.0135 0.0186
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0151 0.0243 0.0892
Echinococcus granulosus Smad4 0.0009 0.0004 0.0057
Brugia malayi Smad1 0.0009 0.0004 0.0006
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0141
Echinococcus granulosus para nitrobenzyl esterase 0.0011 0.0009 0.0123
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0008 0.001
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0008 0.0106
Trichomonas vaginalis glutaminase, putative 0.0289 0.0475 1
Echinococcus multilocularis isocitrate dehydrogenase 0.0017 0.0018 0.0247
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.0024 0.0445
Echinococcus multilocularis BRK domain containing protein 0.0012 0.001 0.0143
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0008 0.001
Loa Loa (eye worm) Smad1 0.0009 0.0004 0.0076
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0011 0.0008 0.0141
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.0024 0.0334
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0011 0.0009 0.0161
Echinococcus multilocularis DNA methyltransferase 2, putative 0.0021 0.0025 0.0345
Brugia malayi photoreceptor-specific nuclear receptor 0.0011 0.0008 0.001
Loa Loa (eye worm) carboxylesterase 0.0011 0.0009 0.0164
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0002 0.0032
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0045 0.0065 0.0238
Loa Loa (eye worm) hypothetical protein 0.0011 0.0008 0.0141
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0002 0.0032
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.002 0.0023 0.5
Loa Loa (eye worm) acetylcholinesterase 1 0.0068 0.0103 0.1923
Schistosoma mansoni RAR-like nuclear receptor 0.0011 0.0008 0.0106
Onchocerca volvulus 0.0011 0.0009 0.0009
Entamoeba histolytica deoxycytidyl transferase, putative 0.002 0.0024 0.0015
Loa Loa (eye worm) hypothetical protein 0.002 0.0024 0.0445
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.002 0.0023 0.0084
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0028 0.0036 0.0131
Echinococcus granulosus dna polymerase eta 0.002 0.0024 0.0334
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0011 0.0009 0.0123
Brugia malayi MH1 domain containing protein 0.0009 0.0004 0.0006
Schistosoma mansoni ap endonuclease 0.002 0.0023 0.0321
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0024 0.0087
Loa Loa (eye worm) helicase DNA-binding protein 0.0012 0.001 0.0191
Plasmodium vivax DNA repair protein REV1, putative 0.0006 0 0.0001
Loa Loa (eye worm) MH2 domain-containing protein 0.0009 0.0004 0.0076
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0001 0.0000098982
Loa Loa (eye worm) hypothetical protein 0.0006 0 0.0005
Schistosoma mansoni neuroligin 3 (S09 family) 0.0011 0.0009 0.0123
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Brugia malayi Nuclear hormone receptor-like 1 0.0011 0.0008 0.001
Giardia lamblia DNA repair protein RAD52 0.0367 0.0606 0.2225
Echinococcus granulosus DNA methyltransferase 2, putative 0.0021 0.0025 0.0345
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0031 0.0113
Brugia malayi Calcium binding EGF domain containing protein 0.0016 0.0017 0.0023
Loa Loa (eye worm) flap endonuclease-1 0.0028 0.0036 0.0669
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0055 0.0081 0.0298
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0011 0.0008 0.0106
Echinococcus multilocularis BC026374 protein (S09 family) 0.0011 0.0009 0.0123
Echinococcus granulosus importin subunit beta 1 0.003 0.0041 0.057
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0002 0.0032
Schistosoma mansoni cpg binding protein 0.0067 0.0103 0.1439
Echinococcus granulosus polybromo 1 0.0007 0.0001 0.0009
Plasmodium falciparum importin beta, putative 0.003 0.0041 0.015
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0024 0.0087
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0151 0.0243 0.0892
Entamoeba histolytica DNA (cytosine-5)-methyltransferase, putative 0.0021 0.0025 0.0029
Schistosoma mansoni thyroid hormone receptor 0.0011 0.0008 0.0106
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0011 0.0008 0.0141
Onchocerca volvulus Bile acid receptor homolog 0.0011 0.0008 0.0008
Entamoeba histolytica hypothetical protein 0.0105 0.0165 0.2436
Schistosoma mansoni smad 0.0009 0.0004 0.0057
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0011 0.0009 0.0123
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0013 0.0048
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.0024 0.0334
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0011 0.0008 0.0008
Echinococcus multilocularis dna polymerase kappa 0.002 0.0024 0.0334
Echinococcus granulosus BRK domain containing protein 0.0012 0.001 0.0143
Loa Loa (eye worm) hypothetical protein 0.0011 0.0009 0.0164
Brugia malayi Associated with TFs and helicases family protein 0.0012 0.001 0.0014
Echinococcus multilocularis dna polymerase eta 0.002 0.0024 0.0334
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0002 0.0032
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0013 0.0048
Brugia malayi nuclear receptor NHR-88 0.0011 0.0008 0.001
Plasmodium vivax DEAD/DEAH helicase, putative 0.0011 0.0008 0.003
Mycobacterium tuberculosis Conserved hypothetical protein 0.0168 0.0272 1
Trypanosoma brucei unspecified product 0.0014 0.0013 0.0048
Brugia malayi MH2 domain containing protein 0.0009 0.0004 0.0006
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0011 0.0008 0.0141
Trypanosoma cruzi telomerase reverse transcriptase, putative 0.1629 0.2724 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0011 0.0008 0.001
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0001 0.0000098982
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0011 0.0008 0.001
Schistosoma mansoni BC026374 protein (S09 family) 0.0011 0.0009 0.0123
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0001 0.0000098982
Echinococcus multilocularis Smad4 0.0009 0.0004 0.0057
Echinococcus granulosus dna polymerase kappa 0.002 0.0024 0.0334
Loa Loa (eye worm) BRM protein 0.0037 0.0051 0.0956
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0011 0.0008 0.001
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0325 0.0536 1
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.0024 0.0033
Brugia malayi BRM protein 0.0071 0.0109 0.015
Echinococcus granulosus flap endonuclease 1 0.0028 0.0036 0.0501
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0017 0.0018 0.0247
Schistosoma mansoni steroid hormone receptor ad4bp 0.0011 0.0008 0.0106
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0.0023 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0014 0.0013 0.0048
Brugia malayi Carboxylesterase family protein 0.0011 0.0009 0.0012
Echinococcus granulosus FTZ F1 alpha 0.0011 0.0008 0.0106
Schistosoma mansoni DNA polymerase eta 0.002 0.0024 0.0334
Mycobacterium tuberculosis Conserved hypothetical protein 0.002 0.0024 0.0573
Echinococcus granulosus BC026374 protein S09 family 0.0011 0.0009 0.0123
Echinococcus multilocularis chromodomain helicase DNA binding protein 7 0.0012 0.001 0.0143
Plasmodium falciparum DNA repair protein REV1, putative 0.0006 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0041 0.0058 0.1082
Schistosoma mansoni retinoic acid receptor RXR 0.0011 0.0008 0.0106
Schistosoma mansoni cpg binding protein 0.0067 0.0103 0.1439
Schistosoma mansoni hypothetical protein 0.0179 0.029 0.4058
Loa Loa (eye worm) carboxylesterase 0.0068 0.0103 0.1923
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.0024 0.0087
Loa Loa (eye worm) hypothetical protein 0.0011 0.0009 0.0164
Loa Loa (eye worm) multiple epidermal growth factor-like domains 6 0.0016 0.0017 0.0312
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0011 0.0008 0.001
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0057
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0011 0.0008 0.0106
Schistosoma mansoni coup transcription factor 0.0011 0.0008 0.0106
Leishmania major DNA polymerase eta, putative 0.002 0.0024 0.0087
Schistosoma mansoni glutaminase 0.0289 0.0475 0.6635
Entamoeba histolytica Flap nuclease, putative 0.0028 0.0036 0.022
Brugia malayi Low-density lipoprotein receptor repeat class B containing protein 0.0016 0.0017 0.0023
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0005 0.0007
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0011 0.0008 0.001
Echinococcus granulosus geminin 0.0179 0.029 0.4058
Loa Loa (eye worm) hypothetical protein 0.0016 0.0017 0.0312
Schistosoma mansoni smad1 5 8 and 0.0009 0.0004 0.0057
Brugia malayi steroid hormone receptor 0.0011 0.0008 0.001
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0009 0.0004 0.0057
Onchocerca volvulus 0.0011 0.0009 0.0009
Entamoeba histolytica hypothetical protein 0.0025 0.0031 0.0139
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.0024 0.0087
Schistosoma mansoni hypothetical protein 0.0038 0.0053 0.0747
Loa Loa (eye worm) hypothetical protein 0.0011 0.0009 0.0164
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.0024 0.0334
Echinococcus multilocularis ecdysone induced protein 78C 0.0011 0.0008 0.0106
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0001 0.0000098982
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0011 0.0008 0.001
Loa Loa (eye worm) MH1 domain-containing protein 0.0009 0.0004 0.0076
Loa Loa (eye worm) transcription factor SMAD2 0.0126 0.0201 0.376
Entamoeba histolytica hypothetical protein 0.0038 0.0053 0.0522
Echinococcus multilocularis para nitrobenzyl esterase 0.0011 0.0009 0.0123
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0011 0.0008 0.0106
Leishmania major DNA polymerase kappa, putative 0.002 0.0024 0.0087
Echinococcus multilocularis carboxylesterase 5A 0.0068 0.0103 0.144
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.002 0.0023 0.0321
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0024 0.0498
Brugia malayi Disco-interacting protein 2 homolog 0.0041 0.0058 0.008
Schistosoma mansoni gliotactin 0.0011 0.0009 0.0123
Brugia malayi Flap endonuclease-1 0.0028 0.0036 0.0049
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0011 0.0008 0.0029
Brugia malayi Importin beta-1 subunit 0.003 0.0041 0.0056
Echinococcus multilocularis disco interacting protein 2 0.0041 0.0058 0.081
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0013 0.0011 0.0041
Loa Loa (eye worm) carboxylesterase 0.0011 0.0009 0.0164
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.002 0.0024 0.0573
Echinococcus granulosus helicase 0.0006 0.000000000007248 0.00000000010135
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0023 0.0461
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0011 0.0008 0.0106
Trichomonas vaginalis ap endonuclease, putative 0.002 0.0023 0.0461
Echinococcus multilocularis BRK domain containing protein 0.0012 0.001 0.0143
Echinococcus multilocularis muscleblind protein 0.0158 0.0255 0.356
Brugia malayi hypothetical protein 0.0011 0.0009 0.0012
Echinococcus granulosus snurportin 1 0.0325 0.0536 0.749
Toxoplasma gondii isocitrate dehydrogenase 0.0017 0.0018 0.0064
Echinococcus multilocularis flap endonuclease 1 0.0028 0.0036 0.0501
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0011 0.0008 0.001
Mycobacterium ulcerans DNA polymerase IV 0.002 0.0024 0.0498
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.0024 0.0087
Onchocerca volvulus Protein ultraspiracle homolog 0.0011 0.0008 0.0008
Schistosoma mansoni subfamily M12A unassigned peptidase (M12 family) 0.0016 0.0017 0.0234
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0017 0.0018 0.0064
Loa Loa (eye worm) glutaminase 0.0289 0.0475 0.8859
Echinococcus multilocularis polybromo 1 0.0007 0.0001 0.0009
Trypanosoma brucei telomerase reverse transcriptase 0.1629 0.2724 1
Schistosoma mansoni DNA (cytosine-5)-methyltransferase 0.0021 0.0025 0.0345
Trichomonas vaginalis lymphoid specific helicase, putative 0.0013 0.0011 0.0214
Plasmodium vivax telomerase reverse transcriptase, putative 0.1629 0.2724 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0001 0.0000098982
Schistosoma mansoni nuclear hormone receptor 0.0011 0.0008 0.0106
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0011 0.0008 0.0106
Plasmodium vivax flap endonuclease 1, putative 0.0028 0.0036 0.0132
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.002 0.0023 0.0083
Loa Loa (eye worm) hypothetical protein 0.0158 0.0255 0.4753
Onchocerca volvulus 0.0011 0.0008 0.0008
Entamoeba histolytica hypothetical protein 0.0038 0.0053 0.0522
Brugia malayi glutaminase DH11.1 0.0289 0.0475 0.0653
Brugia malayi MH2 domain containing protein 0.0126 0.0201 0.0277
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0011 0.0009 0.0123
Echinococcus granulosus smad 0.0009 0.0004 0.0057
Schistosoma mansoni importin beta-1 0.003 0.0041 0.057
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0319 0.0525 0.1928

Activities

Activity type Activity value Assay description Source Reference
2PT (functional) = 6.1 uM Anticoagulant activity in plasma by PT assay ChEMBL. 16730984
2PT (functional) = 6.1 uM Anticoagulant activity in plasma by PT assay ChEMBL. 16730984
CL (ADMET) = 0.79 L/hr.Kg Clearance in dog ChEMBL. 16730984
F (ADMET) = 85 % Oral bioavailability in orally dosed dog ChEMBL. 16730984
IC50 (functional) = 1000 nM Antithrombotic activity in rabbit arterio-venous shunt thrombosis model ChEMBL. 16730984
Ki (binding) = 0.24 nM Binding affinity to human F10a ChEMBL. 16730984
Ki (binding) = 0.24 nM Binding affinity to human F10a ChEMBL. 16730984
Papp (ADMET) 0 Apparent permeability in Caco2 cells ChEMBL. 16730984
PPB (ADMET) > 98 % Protein binding in plasma by equilibrium dialysis assay ChEMBL. 16730984
T1/2 (ADMET) = 4.9 hr Half life in orally dosed dog ChEMBL. 16730984
Vdss (ADMET) = 4.8 L/Kg Volume of distribution in dog ChEMBL. 16730984

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

1 literature reference was collected for this gene.

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