Detailed information for compound 1403872

Basic information

Technical information
  • TDR Targets ID: 1403872
  • Name: 1,8-diamino-6-propoxy-3-pyrrolidin-1-yl-2,7-n aphthyridine-4-carbonitrile
  • MW: 312.37 | Formula: C16H20N6O
  • H donors: 2 H acceptors: 3 LogP: 2.75 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCOc1nc(N)c2c(c1)c(C#N)c(nc2N)N1CCCC1
  • InChi: 1S/C16H20N6O/c1-2-7-23-12-8-10-11(9-17)16(22-5-3-4-6-22)21-15(19)13(10)14(18)20-12/h8H,2-7H2,1H3,(H2,18,20)(H2,19,21)
  • InChiKey: SFOWVXGRGNFIHI-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1,8-diamino-6-propoxy-3-1-pyrrolidinyl-2,7-naphthyridine-4-carbonitrile
  • CC-PMLSC-02ARJF-097:001
  • MLS000541660
  • SMR000472233

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SUMO1/sentrin specific peptidase 7 Starlite/ChEMBL No references
Homo sapiens SUMO/sentrin specific peptidase family member 8 Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens caspase 6, apoptosis-related cysteine peptidase Starlite/ChEMBL No references
Homo sapiens protein phosphatase 5, catalytic subunit Starlite/ChEMBL No references
Homo sapiens SUMO1/sentrin specific peptidase 6 Starlite/ChEMBL No references
Homo sapiens apoptotic peptidase activating factor 1 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens polymerase (DNA directed) iota Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Cryptosporidium hominis phosphoprotein phosphatase -related Get druggable targets OG5_128254 All targets in OG5_128254
Echinococcus multilocularis sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Trichomonas vaginalis protein phosphatase-1, putative Get druggable targets OG5_128254 All targets in OG5_128254
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum ko:K08597 sentrin-specific protease 8, putative Get druggable targets OG5_129942 All targets in OG5_129942
Trypanosoma cruzi serine/threonine protein phosphatase type 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Echinococcus multilocularis protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_129942 All targets in OG5_129942
Brugia malayi serine/threonine protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Trypanosoma brucei gambiense serine/threonine protein phosphatase type 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Candida albicans one of three potential ubiquitin-like protein-specific protease genes Get druggable targets OG5_129942 All targets in OG5_129942
Plasmodium yoelii serine/threonine protein phosphatase PP5 Get druggable targets OG5_128254 All targets in OG5_128254
Babesia bovis serine/threonine protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
Loa Loa (eye worm) protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
Trypanosoma cruzi serine/threonine protein phosphatase type 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Trypanosoma cruzi hypothetical protein Get druggable targets OG5_129942 All targets in OG5_129942
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_131076 All targets in OG5_131076
Schistosoma mansoni protein phosphatase-5 Get druggable targets OG5_128254 All targets in OG5_128254
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_131076 All targets in OG5_131076
Loa Loa (eye worm) serine/threonine protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
Leishmania braziliensis serine/threonine protein phosphatase type 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Trichomonas vaginalis Sentrin-specific protease, putative Get druggable targets OG5_129942 All targets in OG5_129942
Plasmodium falciparum serine/threonine protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
Leishmania infantum serine/threonine protein phosphatase type 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Schistosoma japonicum ko:K04460 protein phosphatase 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_129942 All targets in OG5_129942
Theileria parva serine/threonine protein phosphatase, putative Get druggable targets OG5_128254 All targets in OG5_128254
Plasmodium knowlesi serine/threonine protein phosphatase 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Candida albicans potential calcineurin-like serine/threonine phosphatase similar to S. cerevisiae PPT1 (YGR123C) Get druggable targets OG5_128254 All targets in OG5_128254
Entamoeba histolytica protein phosphatase, putative Get druggable targets OG5_128254 All targets in OG5_128254
Plasmodium vivax serine/threonine protein phosphatase 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Toxoplasma gondii serine/threonine protein phosphatase Get druggable targets OG5_128254 All targets in OG5_128254
Echinococcus granulosus sentrin specific protease 8 Get druggable targets OG5_129942 All targets in OG5_129942
Leishmania donovani serine/threonine protein phosphatase type 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_129942 All targets in OG5_129942
Cryptosporidium parvum phosphoprotein phosphatase related, putative Get druggable targets OG5_128254 All targets in OG5_128254
Loa Loa (eye worm) Ulp1 protease Get druggable targets OG5_129942 All targets in OG5_129942
Trypanosoma congolense serine/threonine protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
Echinococcus multilocularis sentrin specific protease 8 Get druggable targets OG5_129942 All targets in OG5_129942
Schistosoma japonicum ko:K08596 sentrin-specific protease 7, putative Get druggable targets OG5_131076 All targets in OG5_131076
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_129942 All targets in OG5_129942
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
Neospora caninum hypothetical protein Get druggable targets OG5_129942 All targets in OG5_129942
Trichomonas vaginalis protein phosphatase-5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Plasmodium berghei serine/threonine protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
Trypanosoma brucei serine/threonine protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
Candida albicans potential calcineurin-like Serine/Threonine phosphatase similar to S. cerevisiae PPT1 (YGR123C) Get druggable targets OG5_128254 All targets in OG5_128254
Leishmania major serine/threonine protein phosphatase type 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase Get druggable targets OG5_129942 All targets in OG5_129942
Neospora caninum Serine/threonine protein phosphatase 5 (EC 3.1.3.16), related Get druggable targets OG5_128254 All targets in OG5_128254
Trichomonas vaginalis protein phosphatase-1, putative Get druggable targets OG5_128254 All targets in OG5_128254
Leishmania mexicana serine/threonine protein phosphatase type 5, putative Get druggable targets OG5_128254 All targets in OG5_128254
Echinococcus granulosus protein phosphatase 5 Get druggable targets OG5_128254 All targets in OG5_128254
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Plasmodium falciparum sentrin-specific protease 1 SUMO/sentrin specific peptidase family member 8 212 aa 197 aa 23.4 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Cell death protein 3 precursor caspase 6, apoptosis-related cysteine peptidase 293 aa 270 aa 34.4 %
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 %
Trypanosoma brucei kinetoplastid-specific phospho-protein phosphatase, putative protein phosphatase 5, catalytic subunit 477 aa 397 aa 27.7 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni caspase-7 (C14 family) 0.0032 0.0855 0.047
Echinococcus multilocularis caspase 0.0032 0.0855 0.047
Trypanosoma brucei metacaspase MCA3 0.0032 0.0855 0.5211
Plasmodium falciparum sentrin-specific protease 1 0.0047 0.1612 1
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0023 0.0404 0.5
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0111 0.4941 1
Echinococcus granulosus caspase 8 0.0032 0.0855 0.047
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0404 0.2359
Trichomonas vaginalis Sentrin-specific protease, putative 0.0111 0.4941 1
Echinococcus granulosus protein phosphatase 5 0.0026 0.0543 0.0144
Trypanosoma brucei serine/threonine protein phosphatase 5 0.0027 0.0616 0.3696
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0855 0.173
Trichomonas vaginalis sentrin/sumo-specific protease, senp8, putative 0.0047 0.1612 0.3262
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0855 0.173
Echinococcus granulosus sentrin specific protease 1 0.0047 0.1612 0.1258
Trypanosoma brucei SUMO1/Ulp2, putative 0.0047 0.1612 1
Schistosoma mansoni caspase-3 (C14 family) 0.0032 0.0855 0.047
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0404 0.2359
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Trypanosoma brucei metacaspase 5, putative 0.0032 0.0855 0.5211
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0047 0.1612 0.3262
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0855 0.173
Loa Loa (eye worm) hypothetical protein 0.0069 0.2778 0.3811
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0111 0.4941 0.7285
Trypanosoma cruzi metacaspase, putative 0.0032 0.0855 0.0993
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Trypanosoma cruzi metacaspase, putative 0.0032 0.0855 0.0993
Schistosoma mansoni subfamily C14A unassigned peptidase (C14 family) 0.0032 0.0855 0.047
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.1612 0.1612
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.1612 0.1939
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0855 0.173
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0855 0.0993
Loa Loa (eye worm) Ulp1 protease 0.0111 0.4941 0.7285
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0855 0.292
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0855 0.173
Leishmania major SUMO1/Ulp2, putative,cysteine peptidase, Clan CA, family C48, putative 0.0047 0.1612 1
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0855 0.292
Plasmodium vivax sentrin-specific protease 2, putative 0.0047 0.1612 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Trypanosoma cruzi hypothetical protein 0.0111 0.4941 1
Trypanosoma cruzi cysteine peptidase, Clan CA, family C48, putative 0.0047 0.1612 0.2661
Plasmodium vivax metacaspase 1, putative 0.0032 0.0855 0.292
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0047 0.1612 1
Trypanosoma cruzi metacaspase 5, putative 0.0032 0.0855 0.0993
Plasmodium falciparum metacaspase-like protein 0.0032 0.0855 0.292
Trypanosoma brucei DNA polymerase eta, putative 0.0023 0.0404 0.2359
Loa Loa (eye worm) hypothetical protein 0.0032 0.0855 0.0724
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0855 0.173
Mycobacterium tuberculosis Conserved hypothetical protein 0.0023 0.0404 0.5
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0855 0.173
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.1612 0.1939
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0855 0.292
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0855 0.173
Trypanosoma cruzi metacaspase, putative 0.0032 0.0855 0.0993
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0404 0.5
Loa Loa (eye worm) Ulp1 protease 0.0047 0.1612 0.1939
Trypanosoma cruzi metacaspase, putative 0.0032 0.0855 0.0993
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0111 0.4941 0.4941
Brugia malayi MH2 domain containing protein 0.0144 0.6632 1
Trypanosoma brucei metacaspase 0.0032 0.0855 0.5211
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0047 0.1612 0.3262
Giardia lamblia Sentrin specific protease, putative 0.0047 0.1612 1
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0855 0.173
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0855 0.173
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0047 0.1612 1
Echinococcus granulosus caspase 3 apoptosis cysteine peptidase 0.0032 0.0855 0.047
Trypanosoma brucei unspecified product 0.0023 0.0404 0.2359
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0023 0.0404 0.0818
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Echinococcus granulosus expressed conserved protein 0.0163 0.7592 0.749
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.1612 0.1939
Brugia malayi hypothetical protein 0.0037 0.1126 0.1159
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0047 0.1612 0.3262
Loa Loa (eye worm) serine/threonine protein phosphatase 5 0.0026 0.0543 0.0223
Schistosoma mansoni hypothetical protein 0.0037 0.1126 0.0753
Echinococcus multilocularis apoptotic protease activating factor 1 0.0037 0.1126 0.0753
Schistosoma mansoni caspase-7 (C14 family) 0.0069 0.2778 0.2473
Loa Loa (eye worm) hypothetical protein 0.0047 0.1612 0.1939
Echinococcus multilocularis sentrin specific protease 8 0.0111 0.4941 0.4728
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.1612 0.3262
Echinococcus granulosus apoptotic protease activating factor 1 0.0037 0.1126 0.0753
Loa Loa (eye worm) hypothetical protein 0.0037 0.1126 0.1159
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0047 0.1612 0.1258
Brugia malayi Cell death protein 3 precursor 0.0069 0.2778 0.3811
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Echinococcus granulosus caspase 2 0.0069 0.2778 0.2473
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0047 0.1612 0.3262
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0047 0.1612 0.5
Echinococcus granulosus geminin 0.0205 0.9747 0.9737
Plasmodium vivax sentrin-specific protease 1, putative 0.0047 0.1612 1
Trypanosoma cruzi serine/threonine protein phosphatase type 5, putative 0.0027 0.0616 0.0466
Echinococcus multilocularis caspase 8 0.0032 0.0855 0.047
Trypanosoma cruzi serine/threonine protein phosphatase type 5, putative 0.0027 0.0616 0.0466
Leishmania major metacaspase, putative 0.0032 0.0855 0.3733
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0855 0.173
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.1612 0.1612
Entamoeba histolytica deoxycytidyl transferase, putative 0.0023 0.0404 0.0404
Trichomonas vaginalis conserved hypothetical protein 0.0032 0.0855 0.173
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0855 0.173
Echinococcus multilocularis protein phosphatase 5 0.0026 0.0543 0.0144
Loa Loa (eye worm) hypothetical protein 0.0047 0.1612 0.1939
Echinococcus granulosus caspase 0.0032 0.0855 0.047
Leishmania major serine/threonine protein phosphatase type 5, putative 0.0026 0.0543 0.1148
Schistosoma mansoni protein phosphatase-5 0.0027 0.0616 0.022
Echinococcus multilocularis geminin 0.0205 0.9747 0.9737
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.6632 1
Schistosoma mansoni hypothetical protein 0.0205 0.9747 0.9737
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.1612 0.1612
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0111 0.4941 1
Loa Loa (eye worm) protein phosphatase 5 0.0026 0.0524 0.0193
Trichomonas vaginalis DNA polymerase eta, putative 0.0023 0.0404 0.0818
Plasmodium falciparum metacaspase 1 0.0032 0.0855 0.292
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.6632 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0047 0.1612 0.3262
Toxoplasma gondii ICE family protease (caspase) p20 domain-containing protein 0.0032 0.0855 0.292
Echinococcus multilocularis expressed conserved protein 0.0163 0.7592 0.749
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0047 0.1612 0.3262
Echinococcus multilocularis sentrin specific protease 1 0.0047 0.1612 0.1258
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0855 0.173
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0047 0.1612 0.1612
Onchocerca volvulus Cell death protein 3 homolog 0.0069 0.2778 1
Brugia malayi mucosa associated lymphoid tissue lymphoma translocation protein 1 0.0032 0.0855 0.0724
Schistosoma mansoni hypothetical protein 0.0205 0.9747 0.9737
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0047 0.1612 0.1258
Loa Loa (eye worm) hypothetical protein 0.0047 0.1612 0.1939
Trichomonas vaginalis Clan CD, family C14, metacaspase-like cysteine peptidase 0.0032 0.0855 0.173
Toxoplasma gondii Ulp1 protease family, C-terminal catalytic domain-containing protein 0.0047 0.1612 1
Mycobacterium ulcerans DNA polymerase IV 0.0023 0.0404 0.5
Echinococcus multilocularis caspase 3, apoptosis cysteine peptidase 0.0032 0.0855 0.047
Trypanosoma cruzi SUMO1/Ulp2, putative 0.0047 0.1612 0.2661
Echinococcus granulosus sentrin specific protease 8 0.0111 0.4941 0.4728
Trypanosoma brucei metacaspase MCA2 0.0032 0.0855 0.5211
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0111 0.4941 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0023 0.0404 0.2359
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0111 0.4941 0.4728
Onchocerca volvulus 0.0047 0.1612 0.294
Trypanosoma brucei Metacaspase-4 0.0032 0.0855 0.5211
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0047 0.1612 0.5
Echinococcus multilocularis caspase 2 0.0069 0.2778 0.2473
Trypanosoma brucei DNA polymerase IV, putative 0.0023 0.0404 0.2359
Brugia malayi serine/threonine protein phosphatase 5 0.0026 0.0543 0.0223

Activities

Activity type Activity value Assay description Source Reference
AC50 (binding) 16.89 uM PubChem BioAssay. VEID(2) R110 Enzymatic Primary HTS to identify Inhibitors of Caspase 6 Measured in Biochemical System Using Plate Reader - 7052-01_Inhibitor_Dose_CherryPick_Activity. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 3.96 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2575, AID2582, AID2599] ChEMBL. No reference
IC50 (functional) = 4.32 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2575, AID2582, AID434986] ChEMBL. No reference
IC50 (functional) = 4.45 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986] ChEMBL. No reference
IC50 (binding) = 9.927 um PUBCHEM_BIOASSAY: Fluorescence-based biochemical high throughput dose response assay for inhibitors of Protein Phosphatase 5 (PP5). (Class of assay: confirmatory) [Related pubchem assays: 2034 (Summary (PP5 inhibitors)), 1987 (Primary screen (PP5 inhibitors)), 2235 (Counterscreen (PP1 inhibitors in singlate))] ChEMBL. No reference
IC50 (functional) = 15 uM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS hits for Apaf-1 in a Fluorescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945] ChEMBL. No reference
IC50 (functional) = 21.7 uM PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001] ChEMBL. No reference
IC50 (binding) > 67.047 um PUBCHEM_BIOASSAY: Counterscreen for inhibitors of PP5: fluorescence-based biochemical high throughput dose response assay for inhibitors of Protein Phosphatase 1 (PP1). (Class of assay: confirmatory) [Related pubchem assays: 2034 (Summary (PP5 inhibitors)), 1987 (Primary screen (PP5 inhibitors)), 2235 (Screening assay (PP1 inhibitors in singlate))] ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response validation of Inhibitors of Apaf-1 using a Fluorescent Interference Counterscreen assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID489030, AID492945] ChEMBL. No reference
Potency (functional) 0.0891 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 17.7828 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 19.9526 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) 23.1093 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) 25.1189 uM PubChem BioAssay. Inhibitors of Secretory Acid Sphingomyelinase (S-ASM): qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 25.1189 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 28.1838 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 44.6684 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273] ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Eta: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 100 uM PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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