Detailed information for compound 1421620

Basic information

Technical information
  • TDR Targets ID: 1421620
  • Name: 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxoquinaz olin-2-yl]sulfanyl-N-(3-methoxypropyl)acetami de
  • MW: 441.5 | Formula: C22H23N3O5S
  • H donors: 1 H acceptors: 2 LogP: 2.68 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: COCCCNC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccc2c(c1)OCO2
  • InChi: 1S/C22H23N3O5S/c1-28-10-4-9-23-20(26)13-31-22-24-17-6-3-2-5-16(17)21(27)25(22)12-15-7-8-18-19(11-15)30-14-29-18/h2-3,5-8,11H,4,9-10,12-14H2,1H3,(H,23,26)
  • InChiKey: OECLEYXYYSAPNP-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)acetamide
  • 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-quinazolinyl]thio]-N-(3-methoxypropyl)acetamide
  • 2-[[3-(1,3-benzodioxol-5-ylmethyl)-4-keto-quinazolin-2-yl]thio]-N-(3-methoxypropyl)acetamide
  • 2-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-(3-methoxypropyl)ethanamide
  • MLS000621765
  • SMR000310692
  • 2-{[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-3,4-dihydroquinazolin-2-yl]thio}-N-(3-methoxypropyl)acetamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Treponema pallidum exodeoxyribonuclease (exoA) 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
Plasmodium yoelii putative AP endonuclease-related 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
Neospora caninum 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
Entamoeba histolytica exodeoxyribonuclease III, putative 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
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein 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
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 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
Trichomonas vaginalis ap endonuclease, putative 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
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 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 donovani apurinic/apyrimidinic endonuclease-redox protein 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, 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
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis ap endonuclease, 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
Schistosoma mansoni ap endonuclease 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Toxoplasma gondii exonuclease III APE 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 mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease 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
Theileria parva hypothetical protein 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
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Wolbachia endosymbiont of Brugia malayi exonuclease III 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
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0124 0.0124
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0036 0.0036
Echinococcus multilocularis ecdysone induced protein 78C 0.004 0.0935 0.1099
Leishmania major hypothetical protein, conserved 0.0035 0.0734 1
Brugia malayi Nuclear hormone receptor family member nhr-49 0.004 0.0935 0.0935
Brugia malayi beta-lactamase family protein 0.0035 0.0734 0.0734
Schistosoma mansoni peptidase Clp (S14 family) 0.0077 0.2733 0.3213
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0036
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.2733 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0734 1
Onchocerca volvulus 0.004 0.0935 1
Brugia malayi Nuclear hormone receptor-like 1 0.004 0.0935 0.0935
Echinococcus multilocularis FTZ F1 alpha 0.004 0.0935 0.1099
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0226 0.9925 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.004 0.0935 0.1099
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.2733 1
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0077 0.2733 1
Brugia malayi RNA binding protein 0.0197 0.8506 0.8506
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.004 0.0935 0.1099
Trichomonas vaginalis esterase, putative 0.0035 0.0734 1
Schistosoma mansoni Tr4/Tr2 (homologue) 0.004 0.0935 0.1099
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.004 0.0935 0.0935
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0021 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0035 0.0734 0.0734
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0077 0.2733 1
Mycobacterium ulcerans beta-lactamase 0.0035 0.0734 0.234
Trypanosoma cruzi hypothetical protein, conserved 0.0035 0.0734 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0935 0.0935
Mycobacterium leprae Probable lipase LipE 0.0035 0.0734 0.1768
Brugia malayi ecdysteroid receptor 0.004 0.0935 0.0935
Schistosoma mansoni ap endonuclease 0.0023 0.0124 0.0146
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0935 0.1099
Toxoplasma gondii ABC1 family protein 0.0035 0.0734 0.234
Schistosoma mansoni tar DNA-binding protein 0.0197 0.8506 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0197 0.8506 0.8506
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0935 0.0935
Loa Loa (eye worm) steroid hormone receptor 0.004 0.0935 0.0935
Schistosoma mansoni retinoid-x-receptor (RXR) 0.004 0.0935 0.1099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.004 0.0935 0.0935
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0035 0.0734 0.0734
Loa Loa (eye worm) RNA binding protein 0.0197 0.8506 0.8506
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0035 0.0734 0.0623
Brugia malayi beta-lactamase family protein 0.0035 0.0734 0.0734
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0021 0.0036 0.0042
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0228 1 1
Mycobacterium tuberculosis Probable lipase LipD 0.0035 0.0734 0.0623
Schistosoma mansoni nuclear hormone receptor 0.004 0.0935 0.1099
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0305 0.0695
Schistosoma mansoni steroid hormone receptor ad4bp 0.004 0.0935 0.1099
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0077 0.2733 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0036
Echinococcus granulosus nuclear receptor 2DBD gamma 0.004 0.0935 0.1099
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.1457 0.136
Brugia malayi Nuclear hormone receptor family member nhr-1 0.004 0.0935 0.0935
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0124 0.5
Brugia malayi beta-lactamase 0.0035 0.0734 0.0734
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0734 1
Brugia malayi hypothetical protein 0.0021 0.0036 0.0036
Mycobacterium tuberculosis Probable hydrolase 0.0035 0.0734 0.0623
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.004 0.0935 0.1099
Loa Loa (eye worm) hypothetical protein 0.0035 0.0734 0.0734
Echinococcus multilocularis thyroid hormone receptor alpha 0.004 0.0935 0.1099
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.004 0.0935 1
Loa Loa (eye worm) TAR-binding protein 0.0197 0.8506 0.8506
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0036
Mycobacterium tuberculosis Probable esterase LipL 0.0035 0.0734 0.0623
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0021 0.0036 0.0042
Brugia malayi TAR-binding protein 0.0197 0.8506 0.8506
Brugia malayi Steroid receptor seven-up type 2 0.004 0.0935 0.0935
Loa Loa (eye worm) hypothetical protein 0.0077 0.2733 0.2733
Schistosoma mansoni tar DNA-binding protein 0.0197 0.8506 1
Schistosoma mansoni coup transcription factor 0.004 0.0935 0.1099
Loa Loa (eye worm) hypothetical protein 0.004 0.0935 0.0935
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0305 0.0695
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0035 0.0734 0.0734
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.1457 0.4744
Mycobacterium ulcerans esterase/lipase LipP 0.0035 0.0734 0.234
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.004 0.0935 0.0935
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.004 0.0935 0.1099
Mycobacterium tuberculosis Conserved protein 0.0035 0.0734 0.0623
Brugia malayi photoreceptor-specific nuclear receptor 0.004 0.0935 0.0935
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0935 0.0935
Onchocerca volvulus 0.0035 0.0734 0.7854
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0124 0.0146
Brugia malayi Nuclear hormone receptor-like 1 0.0021 0.0036 0.0036
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.2733 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0935 0.0935
Brugia malayi Nuclear hormone receptor family member nhr-14 0.004 0.0935 0.0935
Mycobacterium tuberculosis Probable lipase LipE 0.0035 0.0734 0.0623
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0734 1
Brugia malayi Nuclear hormone receptor family member nhr-40 0.004 0.0935 0.0935
Echinococcus granulosus FTZ F1 alpha 0.004 0.0935 0.1099
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0077 0.2733 1
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.004 0.0935 0.0935
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.004 0.0935 0.0935
Schistosoma mansoni tar DNA-binding protein 0.0197 0.8506 1
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0734 0.234
Loa Loa (eye worm) hypothetical protein 0.004 0.0935 0.0935
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0077 0.2733 1
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0077 0.2733 0.3213
Brugia malayi nuclear hormone receptor 0.004 0.0935 0.0935
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0035 0.0734 0.0734
Echinococcus multilocularis beta LACTamase domain containing family member 0.0035 0.0734 0.0863
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0077 0.2733 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0035 0.0734 0.0863
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0124 0.0146
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.1457 0.1713
Mycobacterium tuberculosis Conserved protein 0.0035 0.0734 0.0623
Onchocerca volvulus Bile acid receptor homolog 0.004 0.0935 1
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0036
Brugia malayi steroid hormone receptor 0.004 0.0935 0.0935
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0021 0.0036 0.0042
Loa Loa (eye worm) hypothetical protein 0.004 0.0935 0.0935
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0077 0.2733 0.3213
Schistosoma mansoni RAR-like nuclear receptor 0.004 0.0935 0.1099
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.004 0.0935 0.1099
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.004 0.0935 0.0935
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0035 0.0734 0.234
Schistosoma mansoni thyroid hormone receptor 0.004 0.0935 0.1099
Schistosoma mansoni ap endonuclease 0.0023 0.0124 0.0146
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0734 0.0863
Mycobacterium ulcerans hypothetical protein 0.0035 0.0734 0.234
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0935 0.0935
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0035 0.0734 0.0623
Schistosoma mansoni retinoic acid receptor RXR 0.004 0.0935 0.1099
Onchocerca volvulus 0.0035 0.0734 0.7854
Toxoplasma gondii hypothetical protein 0.0026 0.0305 0.0695
Brugia malayi Nuclear hormone receptor family member nhr-41 0.004 0.0935 0.0935
Trypanosoma brucei hypothetical protein, conserved 0.0035 0.0734 1
Echinococcus multilocularis tar DNA binding protein 0.0197 0.8506 1
Echinococcus granulosus tar DNA binding protein 0.0197 0.8506 1
Mycobacterium tuberculosis Conserved protein 0.0035 0.0734 0.0623
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.004 0.0935 0.0935
Onchocerca volvulus 0.0035 0.0734 0.7854
Trichomonas vaginalis penicillin-binding protein, putative 0.0035 0.0734 1
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0935 0.1099
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0021 0.0036 0.0042
Loa Loa (eye worm) hypothetical protein 0.004 0.0935 0.0935
Echinococcus granulosus retinoic acid receptor rxr beta a 0.004 0.0935 0.1099
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.004 0.0935 0.1099
Brugia malayi Probable ClpP-like protease 0.0077 0.2733 0.2733
Brugia malayi Nuclear hormone receptor family member nhr-3 0.004 0.0935 0.0935
Echinococcus granulosus ecdysone induced protein 78C 0.004 0.0935 0.1099
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.004 0.0935 0.1099
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0734 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0077 0.2733 0.5
Loa Loa (eye worm) hypothetical protein 0.0035 0.0734 0.0734
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.004 0.0935 0.1099
Mycobacterium ulcerans lipase LipD 0.0035 0.0734 0.234
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.004 0.0935 0.1099
Schistosoma mansoni thyroid hormone receptor 0.004 0.0935 0.1099
Onchocerca volvulus Protein ultraspiracle homolog 0.004 0.0935 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0035 0.0734 0.0863
Loa Loa (eye worm) hypothetical protein 0.004 0.0935 0.0935
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0124 0.0124
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.004 0.0935 0.1099
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.004 0.0935 0.1099
Trichomonas vaginalis D-aminoacylase, putative 0.0035 0.0734 1
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.004 0.0935 0.1099
Loa Loa (eye worm) hypothetical protein 0.004 0.0935 0.0935
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0124 0.5
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.004 0.0935 0.1099
Mycobacterium leprae conserved hypothetical protein 0.0035 0.0734 0.1768
Loa Loa (eye worm) beta-lactamase 0.0035 0.0734 0.0734
Schistosoma mansoni tar DNA-binding protein 0.0197 0.8506 1
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.1457 0.136
Brugia malayi hypothetical protein 0.0021 0.0036 0.0036
Echinococcus granulosus peptidase Clp S14 family 0.005 0.1457 0.1713
Brugia malayi Nuclear hormone receptor family member nhr-31 0.004 0.0935 0.0935
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0035 0.0734 0.0623
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0077 0.2733 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.004 0.0935 0.0935
Brugia malayi nuclear receptor NHR-88 0.004 0.0935 0.0935
Schistosoma mansoni tar DNA-binding protein 0.0197 0.8506 1
Brugia malayi nuclear receptor RXR 0.0021 0.0036 0.0036
Loa Loa (eye worm) hypothetical protein 0.0035 0.0734 0.0734
Loa Loa (eye worm) hypothetical protein 0.0035 0.0734 0.0734
Brugia malayi RNA recognition motif domain containing protein 0.0197 0.8506 0.8506
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0305 0.0695
Brugia malayi Nuclear hormone receptor family member nhr-19 0.004 0.0935 0.0935
Brugia malayi Nuclear hormone receptor family member nhr-25 0.004 0.0935 0.0935

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.4467 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 7.9433 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) 8.2753 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) 28.1838 uM PubChem BioAssay. qHTS Assay for Activators of ClpP. (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) 100 uM PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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.

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