Detailed information for compound 1382029

Basic information

Technical information
  • TDR Targets ID: 1382029
  • Name: 4-[(2S)-1-azido-3-phenylpropan-2-yl]-1-(pheny lmethyl)-1,4-diazepan-5-one
  • MW: 363.456 | Formula: C21H25N5O
  • H donors: 0 H acceptors: 1 LogP: 3.89 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: [N-]=[N+]=NC[C@@H](N1CCN(CCC1=O)Cc1ccccc1)Cc1ccccc1
  • InChi: 1S/C21H25N5O/c22-24-23-16-20(15-18-7-3-1-4-8-18)26-14-13-25(12-11-21(26)27)17-19-9-5-2-6-10-19/h1-10,20H,11-17H2/t20-/m0/s1
  • InChiKey: AEINWPVIDHTFFM-FQEVSTJZSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 4-[(1S)-1-(azidomethyl)-2-phenyl-ethyl]-1-(phenylmethyl)-1,4-diazepan-5-one
  • 4-[(1S)-1-(azidomethyl)-2-phenylethyl]-1-(phenylmethyl)-1,4-diazepan-5-one
  • 4-[(1S)-1-(azidomethyl)-2-phenyl-ethyl]-1-(benzyl)-1,4-diazepan-5-one
  • 4-[(2S)-1-azido-3-phenyl-propan-2-yl]-1-(phenylmethyl)-1,4-diazepan-5-one

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens ubiquitin specific peptidase 1 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens Werner syndrome, RecQ helicase-like Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Escherichia coli penicillin-binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica recQ family helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus multilocularis ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis DNA helicase recq, putative Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium yoelii ATP-dependent DNA helicase-related Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia Sgs1 DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K03654 ATP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Theileria parva DNA helicase, putative Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica recQ family DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Bloom's syndrome protein homolog Get druggable targets OG5_126644 All targets in OG5_126644
Cryptosporidium hominis DEAD/DEAH box helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) RecQ helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus multilocularis bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q5 Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei ATP-dependent DNA helicase Q1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum ADP-dependent DNA helicase RecQ Get druggable targets OG5_126644 All targets in OG5_126644
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni blooms syndrome DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni DNA helicase recq1 Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Treponema pallidum ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi ATP-dependent DNA helicase, RecQ family protein Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Mycobacterium tuberculosis Possible penicillin-binding protein Get druggable targets OG5_149948 All targets in OG5_149948
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni DNA helicase recq5 Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania braziliensis ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum Bloom syndrome protein homolog, putative Get druggable targets OG5_126644 All targets in OG5_126644
Plasmodium yoelii ATP-dependent DNA helicase recQ-related Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Theileria parva hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum RecQ bloom helicase (RNA helicase+hrdc) Get druggable targets OG5_126644 All targets in OG5_126644
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Neospora caninum hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Loa Loa (eye worm) ATP-dependent DNA helicase Get druggable targets OG5_126644 All targets in OG5_126644
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Plasmodium berghei ADP-dependent DNA helicase RecQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus bloom syndrome protein Get druggable targets OG5_126644 All targets in OG5_126644
Echinococcus granulosus ATP dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis DNA helicase recq1, putative Get druggable targets OG5_126644 All targets in OG5_126644
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum ATP-dependent DNA helicase Q1 Get druggable targets OG5_126644 All targets in OG5_126644
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana ATP-dependent DEAD/H DNA helicase recQ, putative Get druggable targets OG5_126644 All targets in OG5_126644
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_126644 All targets in OG5_126644
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 1 1
Echinococcus granulosus Smad4 0.001 0.0102 0.0089
Brugia malayi MH2 domain containing protein 0.001 0.0102 0.0235
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1022 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0043 0.1022 0.101
Schistosoma mansoni TGF-beta signal transducer Smad2 0.001 0.0102 0.0102
Loa Loa (eye worm) kap beta 3 protein 0.0007 0.0013 0.0013
Schistosoma mansoni importin beta-1 0.0035 0.0786 0.0786
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0012 0.016 0.1906
Echinococcus multilocularis Smad4 0.001 0.0102 0.0089
Toxoplasma gondii HEAT repeat-containing protein 0.0007 0.0013 0.013
Echinococcus multilocularis beta LACTamase domain containing family member 0.0043 0.1022 0.101
Mycobacterium leprae conserved hypothetical protein 0.0043 0.1022 0.5
Schistosoma mansoni smad 0.001 0.0102 0.0102
Echinococcus multilocularis mothers against decapentaplegic 5 0.001 0.0102 0.0089
Plasmodium vivax hypothetical protein, conserved 0.0043 0.1022 1
Toxoplasma gondii HEAT repeat-containing protein 0.0007 0.0013 0.013
Treponema pallidum ATP-dependent DNA helicase 0.0006 0.00000000013496 0.5
Schistosoma mansoni importin-beta 2 0.0007 0.0013 0.0013
Trichomonas vaginalis DNA helicase recq1, putative 0.0029 0.0626 0.6073
Leishmania major GTP-binding protein, putative 0.0026 0.0534 0.5161
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0605 0.5868
Schistosoma mansoni smad1 5 8 and 0.001 0.0102 0.0102
Echinococcus granulosus mothers against decapentaplegic 5 0.001 0.0102 0.0089
Echinococcus granulosus smad 0.001 0.0102 0.0089
Mycobacterium ulcerans hypothetical protein 0.0043 0.1022 0.5
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0534 1
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.002 0.0369 0.3528
Trichomonas vaginalis esterase, putative 0.0043 0.1022 1
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0012 0.016 0.0147
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0257 0.2511
Schistosoma mansoni DNA helicase recq5 0.0012 0.016 0.016
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0786 0.7684
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0605 0.5922
Echinococcus multilocularis snurportin 1 0.0372 1 1
Loa Loa (eye worm) importin-beta domain-containing protein 0.0007 0.0013 0.0013
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0605 0.5868
Loa Loa (eye worm) hypothetical protein 0.0043 0.1022 0.1022
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1022 0.1022
Schistosoma mansoni ran 0.0026 0.0534 0.0534
Echinococcus multilocularis bloom syndrome protein 0.0029 0.0626 0.0614
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0534 0.0521
Trichomonas vaginalis DNA helicase recq, putative 0.0029 0.0626 0.6073
Brugia malayi MH1 domain containing protein 0.001 0.0102 0.0235
Loa Loa (eye worm) Smad1 0.001 0.0102 0.0102
Loa Loa (eye worm) MH1 domain-containing protein 0.001 0.0102 0.0102
Schistosoma mansoni Smad4 0.001 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0043 0.1022 0.1022
Echinococcus multilocularis smad 0.001 0.0102 0.0089
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0043 0.1022 0.1022
Loa Loa (eye worm) hypothetical protein 0.0146 0.3824 0.3824
Onchocerca volvulus 0.0043 0.1022 0.5
Brugia malayi beta-lactamase family protein 0.0043 0.1022 0.2681
Brugia malayi beta-lactamase family protein 0.0043 0.1022 0.2681
Loa Loa (eye worm) MH2 domain-containing protein 0.001 0.0102 0.0102
Leishmania major hypothetical protein, conserved 0.0043 0.1022 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0534 0.0521
Onchocerca volvulus 0.0043 0.1022 0.5
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0012 0.016 0.0147
Echinococcus multilocularis TGF beta signal transducer SmadC 0.001 0.0102 0.0089
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0257 0.2413
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0043 0.1022 0.2681
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0786 0.0773
Brugia malayi Importin beta-1 subunit 0.0035 0.0786 0.2052
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0025 0.053 0.6688
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0534 0.5224
Brugia malayi MH2 domain containing protein 0.0144 0.3776 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1022 1
Toxoplasma gondii ABC1 family protein 0.0043 0.1022 1
Onchocerca volvulus 0.0043 0.1022 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1022 0.1022
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0012 0.016 0.0147
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0534 0.1384
Loa Loa (eye worm) hypothetical protein 0.0012 0.016 0.016
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0534 0.5224
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0786 0.7653
Echinococcus granulosus importin subunit beta 1 0.0035 0.0786 0.0773
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0534 0.5161
Brugia malayi MH2 domain containing protein 0.001 0.0102 0.0235
Mycobacterium ulcerans esterase/lipase LipP 0.0043 0.1022 0.5
Mycobacterium ulcerans beta-lactamase 0.0043 0.1022 0.5
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.016 0.157
Brugia malayi Smad1 0.001 0.0102 0.0235
Schistosoma mansoni blooms syndrome DNA helicase 0.0023 0.0459 0.0459
Brugia malayi Bloom's syndrome protein homolog 0.0029 0.0626 0.1628
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0012 0.016 0.0147
Schistosoma mansoni smad1 5 8 and 0.001 0.0102 0.0102
Entamoeba histolytica Ran family GTPase 0.0026 0.0534 0.8822
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.016 0.0391
Brugia malayi MH1 domain containing protein 0.001 0.0102 0.0235
Mycobacterium ulcerans lipase LipD 0.0043 0.1022 0.5
Trichomonas vaginalis DNA helicase recq, putative 0.0015 0.0257 0.2413
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.3776 0.3776
Loa Loa (eye worm) hypothetical protein 0.0035 0.0786 0.0786
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0019 0.0363 0.355
Mycobacterium leprae Probable lipase LipE 0.0043 0.1022 0.5
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0278 0.7431 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0043 0.1022 0.5
Loa Loa (eye worm) hypothetical protein 0.0043 0.1022 0.1022
Leishmania major importin beta-1 subunit, putative 0.0028 0.0605 0.5868
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0012 0.016 0.0391
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0534 0.6744
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0534 0.5224
Brugia malayi beta-lactamase 0.0043 0.1022 0.2681
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0605 0.5868
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0012 0.016 0.016
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0534 0.0534
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0043 0.1022 0.1022
Echinococcus granulosus bloom syndrome protein 0.0029 0.0626 0.0614
Trichomonas vaginalis ran, putative 0.0026 0.0534 0.5161
Brugia malayi RNA, U transporter 1 0.0099 0.2541 0.6718
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0012 0.016 0.157
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1022 1
Schistosoma mansoni ran 0.0026 0.0534 0.0534
Schistosoma mansoni smad1 5 8 and 0.001 0.0102 0.0102
Loa Loa (eye worm) hypothetical protein 0.0043 0.1022 0.1022
Entamoeba histolytica HEAT repeat domain containing protein 0.0007 0.0013 0.022
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0786 0.7653
Echinococcus granulosus TGF beta signal transducer SmadC 0.001 0.0102 0.0089
Trypanosoma cruzi hypothetical protein, conserved 0.0043 0.1022 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1022 1
Trichomonas vaginalis D-aminoacylase, putative 0.0043 0.1022 1
Loa Loa (eye worm) beta-lactamase 0.0043 0.1022 0.1022
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0534 0.5161
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0015 0.0257 0.2413
Trypanosoma brucei hypothetical protein, conserved 0.0043 0.1022 1
Entamoeba histolytica hypothetical protein 0.0028 0.0605 1
Schistosoma mansoni DNA helicase recq1 0.0012 0.016 0.016
Loa Loa (eye worm) hypothetical protein 0.0043 0.1022 0.1022
Loa Loa (eye worm) RecQ helicase 0.0029 0.0626 0.0626
Schistosoma mansoni hypothetical protein 0.0372 1 1
Entamoeba histolytica recQ family helicase, putative 0.0015 0.0257 0.4241
Plasmodium falciparum importin beta, putative 0.0035 0.0786 1
Plasmodium vivax importin-beta 2, putative 0.0035 0.0786 0.7653
Trichomonas vaginalis penicillin-binding protein, putative 0.0043 0.1022 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.3776 0.3776

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.1689 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) 2.8184 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.5481 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 6.5131 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] ChEMBL. No reference
Potency (functional) = 7.0795 um PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))] ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] 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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