Detailed information for compound 800146

Basic information

Technical information
  • TDR Targets ID: 800146
  • Name: 7-(4-tert-butylphenyl)-5-oxo-2,3-dihydro-[1,3 ]thiazolo[3,2-a]pyrimidine-6-carbonitrile
  • MW: 311.401 | Formula: C17H17N3OS
  • H donors: 0 H acceptors: 2 LogP: 3.41 Rotable bonds: 2
    Rule of 5 violations (Lipinski): 1
  • SMILES: N#Cc1c(nc2n(c1=O)CCS2)c1ccc(cc1)C(C)(C)C
  • InChi: 1S/C17H17N3OS/c1-17(2,3)12-6-4-11(5-7-12)14-13(10-18)15(21)20-8-9-22-16(20)19-14/h4-7H,8-9H2,1-3H3
  • InChiKey: MQEPVWKVIBIVDU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 7-(4-tert-butylphenyl)-5-oxo-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonitrile
  • 7-(4-tert-butylphenyl)-5-keto-2,3-dihydrothiazolo[3,2-a]pyrimidine-6-carbonitrile
  • ZINC00085562
  • BAS 04243473
  • 2H-Thiazolo[3,2-a]pyrimidine-6-carbonitrile, 3,5-dihydro-7-(4-tert-butylphenyl)-5-oxo-
  • 7-(4-tert-Butylphenyl)-5-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carbonitrile
  • Oprea1_718189
  • A2278/0095986
  • MLS000719052
  • SMR000291320

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease 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 granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma brucei apurinic/apyrimidinic endonuclease, 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum hypothetical protein 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
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
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 aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni nocturnin 0.0005 0.0021 0.005
Echinococcus granulosus inositol polyphosphate 5 phosphatase OCRL 1 0.0005 0.0021 0.0021
Echinococcus multilocularis muscleblind protein 0.018 1 1
Echinococcus granulosus neutral sphingomyelinase 0.0005 0.0021 0.0021
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0812 0.0812
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0021 0.0972 0.0972
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.3923 0.3923
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0021 0.0021
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0021 0.0021
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.1049 0.1049
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0021 0.0196
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.1049 1
Trichomonas vaginalis sphingomyelinase C 2 precursor, putative 0.0005 0.0021 0.0196
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.1049 0.1049
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0021 0.0021
Echinococcus granulosus traf and tnf receptor associated protein 0.0005 0.0021 0.0021
Schistosoma mansoni carbon catabolite repressor protein 0.0005 0.0021 0.005
Schistosoma mansoni voltage-gated potassium channel 0.0006 0.0111 0.0271
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.1083 0.264
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0021 0.0021
Trichomonas vaginalis type II inositol 5-phosphatase, putative 0.0005 0.0021 0.0196
Echinococcus multilocularis synaptojanin 1 0.0005 0.0021 0.0021
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3923 1
Schistosoma mansoni neutral sphingomyelinase 0.0005 0.0021 0.005
Echinococcus granulosus voltage gated potassium channel 0.0006 0.0111 0.0111
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0021 0.0021
Echinococcus multilocularis voltage gated potassium channel 0.0006 0.0111 0.0111
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1049 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0021 0.0021
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4103 1
Trichomonas vaginalis type IV inositol 5-phosphatase, putative 0.0005 0.0021 0.0196
Echinococcus granulosus CCR4 NOT transcription complex subunit 6 0.0005 0.0021 0.0021
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.1049 0.1049
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0005 0.0021 0.0021
Schistosoma mansoni ap endonuclease 0.0023 0.1049 0.2558
Schistosoma mansoni cript-related 0.0005 0.0021 0.005
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4103 1
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.1049 0.1049
Echinococcus multilocularis CCR4 NOT transcription complex subunit 6 0.0005 0.0021 0.0021
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1049 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0021 0.0021
Schistosoma mansoni synaptojanin 0.0005 0.0021 0.005
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0021 0.0021
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0021 0.0021
Echinococcus multilocularis neutral sphingomyelinase 0.0005 0.0021 0.0021
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.1049 0.2637
Schistosoma mansoni voltage-gated potassium channel 0.0006 0.0111 0.0271
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.3923 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0021 0.0021
Schistosoma mansoni synaptojanin 0.0005 0.0021 0.005
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0021 0.0196
Echinococcus multilocularis inositol polyphosphate 5 phosphatase OCRL 1 0.0005 0.0021 0.0021
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0021 0.0021
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.002 0.0892 0.8499
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.1049 0.5
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0006 0.0111 0.0111
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0021 0.0021
Onchocerca volvulus 0.0005 0.0021 0.5
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4103 1
Echinococcus multilocularis muscleblind protein 1 0.018 1 1
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0005 0.0021 0.0021
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.1049 1
Trichomonas vaginalis ocrl type II inositol 5-phosphatase, putative 0.0005 0.0021 0.0196
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3923 1
Loa Loa (eye worm) hypothetical protein 0.0005 0.0021 0.0021
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.4103 0.4103
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4103 1
Echinococcus multilocularis deoxyribonuclease 1 2 0.0005 0.0021 0.0021
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0006 0.0111 0.0111
Loa Loa (eye worm) CCR4-NOT transcription complex subunit 6 family protein 0.0005 0.0021 0.0021
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0021 0.0972 0.0972
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0006 0.0111 0.0111
Toxoplasma gondii exonuclease III APE 0.0023 0.1049 0.2637
Echinococcus granulosus synaptojanin 1 0.0005 0.0021 0.0021
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.1049 0.2637
Trichomonas vaginalis carbon catabolite repressor protein, putative 0.0005 0.0021 0.0196
Echinococcus granulosus tar DNA binding protein 0.0076 0.4103 0.4103
Echinococcus granulosus muscleblind protein 0.018 1 1
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.1049 1
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.1049 1
Brugia malayi TAR-binding protein 0.0076 0.4103 0.4103
Schistosoma mansoni voltage-gated potassium channel 0.0023 0.1083 0.264
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.3923 1
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.3923 1
Onchocerca volvulus Putative neutral sphingomyelinase 0.0005 0.0021 0.5
Loa Loa (eye worm) RNA binding protein 0.0076 0.4103 0.4103
Schistosoma mansoni ap endonuclease 0.0023 0.1049 0.2558
Onchocerca volvulus 0.0005 0.0021 0.5
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0021 0.0021
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.1049 1
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0021 0.0021
Loa Loa (eye worm) endonuclease/Exonuclease/phosphatase 0.0005 0.0021 0.0021
Trichomonas vaginalis skeletal muscle/kidney enriched inositol 5-phosphatase, putative 0.0005 0.0021 0.0196
Brugia malayi CCR4 0.0005 0.0021 0.0021
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0005 0.0021 0.0021
Loa Loa (eye worm) TAR-binding protein 0.0076 0.4103 0.4103
Brugia malayi RNA binding protein 0.0076 0.4103 0.4103
Loa Loa (eye worm) hypothetical protein 0.018 1 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.0111 0.0111
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0021 0.0972 0.0972
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0021 0.0972 0.0972
Schistosoma mansoni ocrl type II inositol 5-phosphatase 0.0005 0.0021 0.005
Schistosoma mansoni hypothetical protein 0.0005 0.0021 0.005
Echinococcus multilocularis tar DNA binding protein 0.0076 0.4103 0.4103
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.1049 1
Echinococcus multilocularis traf and tnf receptor associated protein 0.0005 0.0021 0.0021
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.3923 0.3923
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.002 0.0892 0.8499
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3923 0.9561
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.3923 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.4103 1
Trichomonas vaginalis Phospholipase C precursor, putative 0.0005 0.0021 0.0196
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.3923 0.9561
Loa Loa (eye worm) hypothetical protein 0.0005 0.0021 0.0021
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.4103 0.4103

Activities

Activity type Activity value Assay description Source 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) 7.9433 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 12.5893 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))] ChEMBL. No reference
Potency (binding) 12.5893 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 28.1838 um PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)] ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 56.2341 uM PubChem BioAssay. qHTS for Antagonist of cAMP-regulated guanine nucleotide exchange factor 2 (EPAC2): primary screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] 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.
 
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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.