Detailed information for compound 613427

Basic information

Technical information
  • TDR Targets ID: 613427
  • Name: N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5, 7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]acetam ide
  • MW: 371.52 | Formula: C19H21N3OS2
  • H donors: 1 H acceptors: 2 LogP: 3.94 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(=O)Nc1sc2c(c1c1nc3c(s1)cccc3)CCN(C2)C(C)C
  • InChi: 1S/C19H21N3OS2/c1-11(2)22-9-8-13-16(10-22)25-18(20-12(3)23)17(13)19-21-14-6-4-5-7-15(14)24-19/h4-7,11H,8-10H2,1-3H3,(H,20,23)
  • InChiKey: JMSPCTGDYFVMJZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[3-(1,3-benzothiazol-2-yl)-6-isopropyl-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]acetamide
  • N-[3-(1,3-benzothiazol-2-yl)-6-propan-2-yl-5,7-dihydro-4H-thieno[5,4-c]pyridin-2-yl]ethanamide
  • Oprea1_277223

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens polymerase (DNA directed) kappa Starlite/ChEMBL No references
Homo sapiens flap structure-specific endonuclease 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Neospora caninum flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K04799 flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis DNA polymerase IV / kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma congolense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Mycobacterium ulcerans DNA polymerase IV Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis DNA polymerase eta, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium vivax flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Theileria parva flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania infantum DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii flap structure-specific endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi Flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Cryptosporidium hominis flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Entamoeba histolytica Flap nuclease, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable DNA polymerase IV DinX (pol IV 1) (DNA nucleotidyltransferase (DNA-directed)) Get druggable targets OG5_127393 All targets in OG5_127393
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Echinococcus granulosus dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania major flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Echinococcus multilocularis dna polymerase kappa Get druggable targets OG5_127393 All targets in OG5_127393
Giardia lamblia DINP protein human, muc B family Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei flap endonuclease 1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis flap endonuclease-1, putative Get druggable targets OG5_127472 All targets in OG5_127472
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Flap structure-specific endonuclease Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Schistosoma japonicum ko:K03511 DNA polymerase kappa subunit, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Schistosoma mansoni flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi polk-prov protein Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania donovani DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania infantum flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania braziliensis DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium falciparum flap endonuclease 1 Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
Babesia bovis XPG N-terminal domain and XPG I-region domain containing protein Get druggable targets OG5_127472 All targets in OG5_127472
Leishmania mexicana DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) flap endonuclease-1 Get druggable targets OG5_127472 All targets in OG5_127472
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei DNA polymerase kappa, putative Get druggable targets OG5_127393 All targets in OG5_127393
Trypanosoma brucei gambiense DNA polymerase kappa, putative,DNA polymerase IV, putative Get druggable targets OG5_127393 All targets in OG5_127393
Plasmodium yoelii flap endonuclease-1-related Get druggable targets OG5_127472 All targets in OG5_127472
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative Get druggable targets OG5_127472 All targets in OG5_127472
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Trypanosoma brucei exonuclease, putative flap structure-specific endonuclease 1 380 aa 322 aa 24.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0025 0.0367 0.0208
Plasmodium falciparum transporter, putative 0.0025 0.0367 0.301
Loa Loa (eye worm) flap endonuclease-1 0.0031 0.0841 0.069
Brugia malayi hypothetical protein 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.4063 1
Plasmodium vivax amine transporter, putative 0.0025 0.0367 0.301
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0367 0.0208
Plasmodium vivax hypothetical protein, conserved 0.0025 0.0367 0.301
Toxoplasma gondii hypothetical protein 0.0025 0.0367 0.4358
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.1877 0.4395
Echinococcus granulosus dna polymerase eta 0.0041 0.1567 0.1428
Loa Loa (eye worm) hypothetical protein 0.0149 1 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0367 0.0208
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0025 0.0367 0.5
Entamoeba histolytica deoxycytidyl transferase, putative 0.0041 0.1567 1
Toxoplasma gondii hypothetical protein 0.0025 0.0367 0.4358
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.1567 0.1428
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1202 0.2667
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0367 0.0208
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0367 0.0208
Echinococcus multilocularis dna polymerase eta 0.0041 0.1567 0.1428
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.4063 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.4063 1
Brugia malayi ImpB/MucB/SamB family protein 0.0041 0.1567 0.1428
Trypanosoma brucei DNA polymerase IV, putative 0.0065 0.3444 0.8412
Schistosoma mansoni flap endonuclease-1 0.0028 0.0606 0.0452
Loa Loa (eye worm) hypothetical protein 0.0041 0.1567 0.1428
Schistosoma mansoni sodium-dependent amino acid transporter 0.0025 0.0367 0.0208
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.4063 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.4063 1
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0367 0.0208
Schistosoma mansoni sodium/chloride dependent transporter 0.0149 1 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.4063 1
Loa Loa (eye worm) serotonin transporter b 0.0149 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0041 0.1567 0.3601
Toxoplasma gondii flap structure-specific endonuclease 1, putative 0.0031 0.0841 1
Brugia malayi Flap endonuclease-1 0.0031 0.0841 0.069
Plasmodium vivax flap endonuclease 1, putative 0.0031 0.0841 1
Echinococcus multilocularis dna polymerase kappa 0.0073 0.4063 0.3965
Echinococcus multilocularis flap endonuclease 1 0.0031 0.0841 0.069
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase IV, putative 0.0073 0.4063 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0367 0.0208
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.0049 0.2186 0.5189
Trypanosoma brucei unspecified product 0.0028 0.0583 0.1079
Plasmodium falciparum flap endonuclease 1 0.0031 0.0841 1
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0367 0.0208
Mycobacterium tuberculosis Conserved hypothetical protein 0.0041 0.1567 0.694
Trichomonas vaginalis flap endonuclease-1, putative 0.0031 0.0841 0.1741
Giardia lamblia Flap structure-specific endonuclease 0.0031 0.0841 0.3355
Schistosoma mansoni terminal deoxycytidyl transferase 0.0041 0.1567 0.1428
Toxoplasma gondii exonuclease III APE 0.0023 0.0162 0.1928
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase IV, putative 0.0073 0.4063 1
Echinococcus granulosus sodium and chloride dependent glycine 0.0025 0.0367 0.0208
Entamoeba histolytica Flap nuclease, putative 0.0031 0.0841 0.4834
Echinococcus granulosus serotonin transporter 0.0149 1 1
Giardia lamblia DINP protein human, muc B family 0.0049 0.2186 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0367 0.0208
Trypanosoma brucei flap endonuclease-1 (FEN-1), putative 0.0031 0.0841 0.1741
Echinococcus granulosus flap endonuclease 1 0.0031 0.0841 0.069
Echinococcus granulosus dna polymerase kappa 0.0073 0.4063 0.3965
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0041 0.1567 0.1428
Treponema pallidum sodium- and chloride- dependent transporter 0.0149 1 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0041 0.1567 0.1428
Loa Loa (eye worm) hypothetical protein 0.0025 0.0367 0.0208
Trypanosoma brucei unspecified product 0.0028 0.0583 0.1079
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.1567 0.1428
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0367 0.0208
Leishmania major DNA polymerase eta, putative 0.0041 0.1567 0.694
Mycobacterium ulcerans DNA polymerase IV 0.0073 0.4063 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0073 0.4063 1
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.4063 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.4063 1
Trypanosoma brucei unspecified product 0.0065 0.3444 0.8412
Onchocerca volvulus 0.0149 1 1
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0367 0.0208
Brugia malayi polk-prov protein 0.0045 0.1877 0.1743
Loa Loa (eye worm) hypothetical protein 0.0149 1 1
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0025 0.0367 0.0208
Leishmania major DNA polymerase kappa, putative 0.0049 0.2186 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.4063 1
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0041 0.1567 0.1428
Loa Loa (eye worm) hypothetical protein 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.4063 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.4063 1
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0367 0.0208
Echinococcus multilocularis serotonin transporter 0.0149 1 1
Leishmania major flap endonuclease-1 (FEN-1), putative 0.0031 0.0841 0.3355
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0367 0.4358
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1202 0.2667
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0367 0.0208
Trypanosoma cruzi flap endonuclease-1 (FEN-1), putative 0.0031 0.0841 0.1741
Loa Loa (eye worm) hypothetical protein 0.0025 0.0367 0.0208
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.0073 0.4063 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0073 0.4063 1
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0149 1 1
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0367 0.4358
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0025 0.0367 0.0208
Loa Loa (eye worm) norepinephrine transporter 0.0149 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase eta, putative 0.0041 0.1567 0.3601
Loa Loa (eye worm) solute carrier family 6 member 4 0.0149 1 1
Echinococcus multilocularis sodium and chloride dependent glycine 0.0025 0.0367 0.0208
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0025 0.0367 0.0208
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0162 0.5
Loa Loa (eye worm) hypothetical protein 0.0025 0.0367 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.0036 0.1202 0.2667
Schistosoma mansoni sodium-dependent neurotransmitter transporter 0.0025 0.0367 0.0208
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0025 0.0367 0.0208
Mycobacterium ulcerans DNA polymerase IV 0.0073 0.4063 1
Loa Loa (eye worm) hypothetical protein 0.0149 1 1
Loa Loa (eye worm) hypothetical protein 0.0045 0.1877 0.1743
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0049 0.2186 1
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0025 0.0367 0.0208
Schistosoma mansoni norepinephrine/norepinephrine transporter 0.0025 0.0367 0.0208
Trichomonas vaginalis DNA polymerase eta, putative 0.0073 0.4063 1
Plasmodium falciparum amino acid transporter, putative 0.0025 0.0367 0.301
Schistosoma mansoni sodium/chloride dependent transporter 0.0025 0.0367 0.0208
Schistosoma mansoni DNA polymerase eta 0.0041 0.1567 0.1428
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.1877 0.4395
Toxoplasma gondii Sodium:neurotransmitter symporter family protein 0.0025 0.0367 0.4358
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0049 0.2186 1

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 0.6 % Inhibition of APE1 in human HeLa whole cell extract using [35P]-5'-AP-DNA as substrate assessed as activity remaining at 100 uM incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE analysis relative to control ChEMBL. 22455312
Activity (functional) = 50 % Cytotoxicity against human HeLa cells at 15 uM after 24 hrs by CellTiterGlo assay ChEMBL. 22455312
IC50 (binding) = 2 uM Inhibition of human recombinant APE1 after 15 mins by fluorescence based HTS assay ChEMBL. 22455312
IC50 (binding) = 12 uM Inhibition of recombinant APE1 using [35P]-5'-AP-DNA as substrate incubated for 15 mins prior to substrate addition measured after 5 mins by PAGE analysis ChEMBL. 22455312
Inhibition (ADMET) = 0 % Inhibition of CYP2D6 at 10 uM ChEMBL. 22455312
Inhibition (ADMET) = 33 % Inhibition of CYP3A4 at 10 uM ChEMBL. 22455312
Potency (functional) 3.6964 uM PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850] ChEMBL. No reference
Potency (functional) 4.1475 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) 11.9173 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Kappa: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.9955 uM PubChem BioAssay. qHTS Assay for the Inhibitors of FEN1: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.3714 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.8876 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19 uM PubChem BioAssay. Radiotracer Incision Assay (RIA) for Inhibitors of Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
T1/2 (ADMET) = 80 min Half life in mouse liver microsomes ChEMBL. 22455312

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

1 literature reference was collected for this gene.

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