Detailed information for compound 1401716

Basic information

Technical information
  • TDR Targets ID: 1401716
  • Name: 3-amino-5,7-dimethyl-N-(4-methyl-2,6-dioxo-3H -pyrimidin-5-yl)thieno[5,4-b]quinoline-2-carb oxamide
  • MW: 395.435 | Formula: C19H17N5O3S
  • H donors: 4 H acceptors: 6 LogP: 3.72 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: Oc1nc(C)c(c(n1)O)NC(=O)c1sc2c(c1N)cc1c(n2)cc(cc1C)C
  • InChi: 1S/C19H17N5O3S/c1-7-4-8(2)10-6-11-13(20)15(28-18(11)22-12(10)5-7)17(26)23-14-9(3)21-19(27)24-16(14)25/h4-6H,20H2,1-3H3,(H,23,26)(H2,21,24,25,27)
  • InChiKey: AFXKEZWXXFZJDL-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-amino-5,7-dimethyl-N-(4-methyl-2,6-dioxo-3H-pyrimidin-5-yl)-2-thieno[5,4-b]quinolinecarboxamide
  • 3-amino-N-(2,4-diketo-6-methyl-1H-pyrimidin-5-yl)-5,7-dimethyl-thieno[5,4-b]quinoline-2-carboxamide
  • ZINC04848769
  • 3-Amino-5,7-dimethyl-thieno[2,3-b]quinoline-2-carboxylic acid (6-methyl-2,4-dioxo-1,2,3,4-tetrahydro-pyrimidin-5-yl)-amide
  • MLS000548392
  • SMR000171061
  • ASN 05544494
  • Oprea1_520657

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Bos taurus Thrombin Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3G Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens regulator of G-protein signaling 4 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D Starlite/ChEMBL No references
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens thyroid hormone receptor, beta Starlite/ChEMBL No references
Homo sapiens glutaminase Starlite/ChEMBL No references
Bacillus subtilis 4'-phosphopantetheinyl transferase ffp Starlite/ChEMBL No references
Homo sapiens proteasome (prosome, macropain) 26S subunit, non-ATPase, 14 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Schistosoma mansoni glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Schistosoma japonicum expressed protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K08362 nuclear receptor, subfamily 1, group A, member 2, putative Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum ko:K00142 aminoadipate-semialdehyde dehydrogenase [EC1.2.1.31], putative Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania donovani proteasome regulatory non-ATPase subunit 11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania infantum proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma mansoni hypothetical protein Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase Get druggable targets OG5_129301 All targets in OG5_129301
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma cruzi proteasome regulatory non-ATPase subunit 11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trichomonas vaginalis Clan MP, family M67, Poh1-like metallopeptidase Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus granulosus 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Entamoeba histolytica 26S proteasome non-ATPase regulatory subunit 14, putative Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Cryptosporidium hominis proteinx0005 Get druggable targets OG5_129301 All targets in OG5_129301
Trypanosoma brucei gambiense proteasome regulatory non-ATPase subunit 11,19S proteasome regulatory subunit, Metallo-peptidase, Clan MP, Family M67 Get druggable targets OG5_127757 All targets in OG5_127757
Mycobacterium ulcerans glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis thyroid hormone receptor alpha Get druggable targets OG5_134830 All targets in OG5_134830
Schistosoma japonicum expressed protein Get druggable targets OG5_129301 All targets in OG5_129301
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium berghei 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium vivax 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Leishmania major proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Trichomonas vaginalis Clan MP, family M67, Poh1-like metallopeptidase Get druggable targets OG5_127757 All targets in OG5_127757
Trichomonas vaginalis Clan MP, family M67, Poh1-like metallopeptidase Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Echinococcus granulosus 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Candida albicans one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp Get druggable targets OG5_127917 All targets in OG5_127917
Trypanosoma brucei gambiense proteasome regulatory non-ATPase subunit 11,19S proteasome regulatory subunit, Metallo-peptidase, Clan MP, Family M67, putative Get druggable targets OG5_127757 All targets in OG5_127757
Loa Loa (eye worm) glutaminase 2 Get druggable targets OG5_129245 All targets in OG5_129245
Loa Loa (eye worm) proteasome 26S subunit Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Leishmania mexicana proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Cryptosporidium parvum phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Brugia malayi 26S proteasome regulatory subunit rpn11 Get druggable targets OG5_127757 All targets in OG5_127757
Brugia malayi glutaminase DH11.1 Get druggable targets OG5_129245 All targets in OG5_129245
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi Hypothetical 35.8 kDa protein F37A4.5 in chromosome III Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium falciparum 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis expressed protein Get druggable targets OG5_141764 All targets in OG5_141764
Leishmania braziliensis proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Candida albicans similar to S. cerevisiae RPN11 (YFR004W) deubiquitinylating metalloisopeptidase subunit of the 19S regulatory particle of the 26 Get druggable targets OG5_127757 All targets in OG5_127757
Cryptosporidium hominis Mov34/MPN/PAD-1 family proteasome regulatory subunit Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus granulosus L aminoadipate semialdehyde Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni thyroid hormone receptor Get druggable targets OG5_134830 All targets in OG5_134830
Trichomonas vaginalis glutaminase, putative Get druggable targets OG5_129245 All targets in OG5_129245
Babesia bovis 26S proteasome regulatory subunit, putative Get druggable targets OG5_127757 All targets in OG5_127757
Plasmodium knowlesi 26S proteasome regulatory subunit RPN11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal Get druggable targets OG5_134830 All targets in OG5_134830
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase Get druggable targets OG5_129301 All targets in OG5_129301
Onchocerca volvulus Get druggable targets OG5_129301 All targets in OG5_129301
Echinococcus multilocularis 26S proteasome regulatory subunit N11 Get druggable targets OG5_127757 All targets in OG5_127757
Toxoplasma gondii proteasome regulatory subunit Get druggable targets OG5_127757 All targets in OG5_127757
Trypanosoma brucei proteasome regulatory non-ATPase subunit 11 Get druggable targets OG5_127757 All targets in OG5_127757
Neospora caninum CBR-CSN-5 protein, related Get druggable targets OG5_127757 All targets in OG5_127757
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Giardia lamblia Non ATPase subunit MPR1 of 26S proteasome Get druggable targets OG5_127757 All targets in OG5_127757
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Loa Loa (eye worm) 26S proteasome regulatory subunit rpn11 Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum ko:K03030 26S proteasome regulatory subunit N11, putative Get druggable targets OG5_127757 All targets in OG5_127757
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Plasmodium yoelii Mov34/MPN/PAD-1 family, putative Get druggable targets OG5_127757 All targets in OG5_127757
Cryptosporidium parvum 26S proteasome-associated Mov34/MPN/PAD-1 family. JAB domain. Get druggable targets OG5_127757 All targets in OG5_127757
Schistosoma japonicum Thyroid hormone receptor alpha, putative Get druggable targets OG5_134830 All targets in OG5_134830
Loa Loa (eye worm) glutaminase Get druggable targets OG5_129245 All targets in OG5_129245
Trypanosoma brucei proteasome regulatory non-ATPase subunit 11 Get druggable targets OG5_127757 All targets in OG5_127757
Theileria parva proteasome regulatory subunit, putative Get druggable targets OG5_127757 All targets in OG5_127757
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Onchocerca volvulus 4'-phosphopantetheinyl transferase ffp   224 aa 186 aa 26.3 %
Trypanosoma brucei COP9 signalosome complex subunit 5, putative proteasome (prosome, macropain) 26S subunit, non-ATPase, 14 310 aa 258 aa 27.5 %
Trichomonas vaginalis conserved hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 197 aa 22.3 %
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Entamoeba histolytica hypothetical protein 4'-phosphopantetheinyl transferase ffp   224 aa 198 aa 28.3 %
Candida albicans aminoadipate-semialdehyde dehydrogenase small subunit 4'-phosphopantetheinyl transferase ffp   224 aa 183 aa 27.3 %
Brugia malayi photoreceptor-specific nuclear receptor thyroid hormone receptor, beta 461 aa 414 aa 24.6 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus axis inhibition protein axin 0.0023 0.0223 0.0223
Onchocerca volvulus 0.0285 0.6206 0.7668
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0376 0.0576
Echinococcus multilocularis tissue type plasminogen activator 0.0021 0.0181 0.0181
Echinococcus multilocularis muscleblind protein 0.018 0.3818 0.3818
Echinococcus granulosus peregrin 0.0035 0.0499 0.0499
Trypanosoma cruzi proteasome regulatory non-ATPase subunit 11, putative 0.0019 0.0138 0.0652
Plasmodium falciparum cysteine repeat modular protein 1 0.0021 0.0181 0.1562
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0223 0.012
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0223 0.0308
Loa Loa (eye worm) hypothetical protein 0.0023 0.0223 0.0129
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0932 0.0932
Schistosoma mansoni regulator of G protein signaling 3 rgs3 0.0023 0.0223 0.0308
Brugia malayi hypothetical protein 0.0023 0.0223 0.0129
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0028 0.034 0.5779
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.0223 0.0223
Echinococcus multilocularis regulator of G protein signaling 0.0023 0.0223 0.0223
Toxoplasma gondii 1,3-beta-glucan synthase component protein 0.0212 0.4543 1
Brugia malayi Hypothetical 35.8 kDa protein F37A4.5 in chromosome III 0.0026 0.0278 0.0197
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0499 0.0689
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0499 0.0499
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.0223 0.0223
Entamoeba histolytica hypothetical protein 0.0043 0.0668 1
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0223 0.012
Toxoplasma gondii proteasome regulatory subunit 0.0026 0.0278 0.0353
Loa Loa (eye worm) hypothetical protein 0.0023 0.0223 0.0129
Echinococcus multilocularis geminin 0.0201 0.4279 0.4279
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0223 0.0308
Loa Loa (eye worm) hypothetical protein 0.018 0.3818 0.467
Brugia malayi jmjC domain containing protein 0.0043 0.0668 0.0691
Loa Loa (eye worm) PXA domain-containing protein 0.0023 0.0223 0.0129
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.0223 0.0223
Brugia malayi Pax transcription factor protein 2 0.0285 0.6206 0.7686
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0376 0.6744
Echinococcus granulosus 26S proteasome regulatory subunit N11 0.0026 0.0278 0.0278
Echinococcus multilocularis thyroid hormone receptor alpha 0.0164 0.3449 0.3449
Loa Loa (eye worm) G protein signaling regulator EGL-10 0.0023 0.0223 0.0129
Schistosoma mansoni jumonji domain containing protein 0.0092 0.1789 0.247
Echinococcus multilocularis 26S proteasome regulatory subunit N11 0.0026 0.0278 0.0278
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0054 0.0932 0.1023
Echinococcus granulosus A kinase anchor protein 10 mitochondrial 0.0023 0.0223 0.0223
Giardia lamblia PHD finger protein 15 0.0035 0.0499 1
Schistosoma mansoni hypothetical protein 0.0035 0.0499 0.0689
Brugia malayi hypothetical protein 0.003 0.0376 0.0322
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0668 0.0923
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0223 0.012
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0932 0.0932
Trypanosoma brucei hypothetical protein, conserved 0.0028 0.034 0.857
Entamoeba histolytica hypothetical protein 0.0043 0.0668 1
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0019 0.0122 0.0122
Brugia malayi jmjC domain containing protein 0.0115 0.233 0.279
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.01 0.199 0.2747
Brugia malayi glutaminase DH11.1 0.033 0.7242 0.8994
Brugia malayi A-kinase anchor protein 10, precursor 0.0023 0.0223 0.0129
Echinococcus granulosus beta-adrenergic receptor kinase 0.0023 0.0223 0.0223
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0668 0.0922
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.0223 0.0308
Schistosoma mansoni axis inhibition protein axin 0.0023 0.0223 0.0308
Trichomonas vaginalis regulator of G protein signaling 5, rgs5, putative 0.0023 0.0223 0.012
Schistosoma mansoni glutaminase 0.033 0.7242 1
Plasmodium vivax 26S proteasome regulatory subunit RPN11, putative 0.0026 0.0278 0.4135
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0023 0.0223 0.0129
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0668 0.0691
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.233 0.233
Echinococcus multilocularis muscleblind protein 1 0.018 0.3818 0.3818
Schistosoma mansoni regulator of G protein signaling 17 19 20 (rgs17 19 20) 0.0023 0.0223 0.0308
Schistosoma mansoni hypothetical protein 0.0043 0.0668 0.0922
Loa Loa (eye worm) pax transcription factor protein 2 0.0285 0.6206 0.7686
Loa Loa (eye worm) hypothetical protein 0.0023 0.0223 0.0129
Entamoeba histolytica hypothetical protein 0.0028 0.034 0.262
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0223 0.012
Trypanosoma cruzi hypothetical protein, conserved 0.0021 0.0181 0.2317
Loa Loa (eye worm) glutaminase 2 0.033 0.7242 0.8994
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.0223 0.0223
Mycobacterium ulcerans glutaminase 0.033 0.7242 1
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0028 0.034 0.5
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0223 0.0308
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0499 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0932 0.1287
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0499 0.0499
Echinococcus granulosus regulator of G protein signaling 3 0.0023 0.0223 0.0223
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0019 0.0122 0.0122
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0054 0.0932 0.0932
Plasmodium falciparum 26S proteasome regulatory subunit RPN11, putative 0.0026 0.0278 0.4135
Brugia malayi PXA domain containing protein 0.0023 0.0223 0.0129
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0499 0.0854
Echinococcus multilocularis isocitrate dehydrogenase 0.0019 0.0122 0.0122
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0668 0.0668
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0028 0.034 0.0493
Schistosoma mansoni hypothetical protein 0.0201 0.4279 0.5909
Brugia malayi Protein kinase domain containing protein 0.0021 0.0181 0.0074
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.1356 0.1559
Echinococcus multilocularis regulator of G protein signaling 7 0.0023 0.0223 0.0223
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0814 0.0814
Echinococcus granulosus 26S proteasome regulatory subunit N11 0.0019 0.0138 0.0138
Trichomonas vaginalis glutaminase, putative 0.033 0.7242 1
Brugia malayi Bromodomain containing protein 0.0035 0.0499 0.0477
Leishmania major phosphopantetheinyl transferase-like protein 0.0028 0.034 0.857
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.0223 0.0223
Schistosoma mansoni hypothetical protein 0.0152 0.317 0.4377
Loa Loa (eye worm) proteasome 26S subunit 0.0019 0.0138 0.0021
Leishmania major hypothetical protein, conserved 0.003 0.0376 1
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0028 0.034 0.5779
Brugia malayi MH2 domain containing protein 0.0144 0.299 0.3624
Brugia malayi PHD-finger family protein 0.0035 0.0499 0.0477
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.0223 0.0129
Brugia malayi regulator of G-protein signaling egl-10 0.0023 0.0223 0.0129
Loa Loa (eye worm) hypothetical protein 0.0021 0.0181 0.0074
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.299 0.3624
Brugia malayi hypothetical protein 0.0019 0.0134 0.0016
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0152 0.317 0.317
Entamoeba histolytica hypothetical protein 0.0043 0.0668 1
Loa Loa (eye worm) RGS-3 protein 0.0023 0.0223 0.0129
Onchocerca volvulus 0.01 0.199 0.2302
Loa Loa (eye worm) hypothetical protein 0.01 0.199 0.236
Plasmodium vivax cysteine repeat modular protein 1, putative 0.0021 0.0181 0.1562
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0054 0.0932 0.1023
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0122 0.0122
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0376 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0122 0.0122
Entamoeba histolytica hypothetical protein 0.0043 0.0668 1
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0028 0.034 0.0493
Onchocerca volvulus Alhambra homolog 0.0035 0.0499 0.0405
Loa Loa (eye worm) hypothetical protein 0.0023 0.0223 0.0129
Schistosoma mansoni z-protein (S1r protein) 0.0023 0.0223 0.0308
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0028 0.034 0.5
Loa Loa (eye worm) hypothetical protein 0.006 0.1074 0.1203
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0028 0.034 0.5
Echinococcus multilocularis peregrin 0.0035 0.0499 0.0499
Echinococcus granulosus Regulator of G protein signaling 20 0.0023 0.0223 0.0223
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0376 1
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0223 0.0308
Echinococcus granulosus axis inhibition protein axin 0.0023 0.0223 0.0223
Loa Loa (eye worm) TK/ROR protein kinase 0.0021 0.0181 0.0074
Trypanosoma brucei proteasome regulatory non-ATPase subunit 11 0.0019 0.0138 0.0652
Brugia malayi Regulator of G protein signaling domain containing protein 0.0023 0.0223 0.0129
Echinococcus granulosus muscleblind protein 0.018 0.3818 0.3818
Trypanosoma brucei proteasome regulatory non-ATPase subunit 11 0.0019 0.0138 0.0652
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0932 0.1287
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0223 0.012
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0019 0.0122 0.0122
Brugia malayi 26S proteasome regulatory subunit rpn11 0.0026 0.0278 0.0197
Echinococcus multilocularis L aminoadipate semialdehyde 0.01 0.199 0.199
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0668 0.0923
Leishmania major hypothetical protein, conserved 0.0021 0.0181 0.2317
Loa Loa (eye worm) hypothetical protein 0.0023 0.0223 0.0129
Echinococcus multilocularis Regulator of G protein signaling 20 0.0023 0.0223 0.0223
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0814 0.0814
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0376 0.6744
Echinococcus granulosus geminin 0.0201 0.4279 0.4279
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.233 0.233
Mycobacterium leprae conserved hypothetical protein 0.0028 0.034 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.299 0.3624
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0668 0.0668
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0668 0.0668
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0019 0.0122 0.0168
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0499 0.0477
Brugia malayi hypothetical protein 0.0365 0.8038 1
Echinococcus multilocularis regulator of G protein signaling 3 0.0023 0.0223 0.0223
Plasmodium falciparum phd finger protein, putative 0.0035 0.0499 1
Schistosoma mansoni thyroid hormone receptor 0.0164 0.3449 0.4763
Loa Loa (eye worm) hypothetical protein 0.0365 0.8038 1
Schistosoma mansoni hypothetical protein 0.0201 0.4279 0.5909
Trichomonas vaginalis conserved hypothetical protein 0.0023 0.0223 0.012
Brugia malayi PXA domain containing protein 0.0023 0.0223 0.0129
Schistosoma mansoni hypothetical protein 0.0021 0.0181 0.0249
Brugia malayi hypothetical protein 0.0023 0.0223 0.0129
Echinococcus granulosus L aminoadipate semialdehyde 0.01 0.199 0.199
Echinococcus multilocularis beta adrenergic receptor kinase 0.0023 0.0223 0.0223
Schistosoma mansoni thyroid hormone receptor 0.0164 0.3449 0.4763
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0376 0.6744
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0054 0.0932 0.0932
Loa Loa (eye worm) 26S proteasome regulatory subunit rpn11 0.0026 0.0278 0.0197
Toxoplasma gondii kringle domain-containing protein 0.0021 0.0181 0.0133
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0028 0.034 1
Loa Loa (eye worm) hypothetical protein 0.018 0.3818 0.467
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0223 0.0308
Schistosoma mansoni serine/threonine protein kinase 0.0023 0.0223 0.0308
Echinococcus multilocularis A kinase anchor protein 10, mitochondrial 0.0023 0.0223 0.0223
Onchocerca volvulus 0.0365 0.8038 1
Echinococcus multilocularis axis inhibition protein axin 0.0023 0.0223 0.0223
Loa Loa (eye worm) glutaminase 0.033 0.7242 0.8994
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0223 0.0308
Loa Loa (eye worm) hypothetical protein 0.003 0.0376 0.0322
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0023 0.0223 0.0129
Schistosoma mansoni axis inhibition protein axin 0.0023 0.0223 0.0308
Echinococcus multilocularis 26S proteasome regulatory subunit N11 0.0019 0.0138 0.0138
Brugia malayi Muscleblind-like protein 0.018 0.3818 0.467
Brugia malayi regulator of G-protein signaling rgs-7 0.0023 0.0223 0.0129
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0376 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0054 0.0932 0.1287
Echinococcus granulosus tissue type plasminogen activator 0.0021 0.0181 0.0181
Brugia malayi Kringle domain containing protein 0.0021 0.0181 0.0074
Brugia malayi hypothetical protein 0.0043 0.0668 0.069
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0023 0.0223 0.0129
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0152 0.317 0.317
Schistosoma mansoni regulator of G protein signaling 0.0023 0.0223 0.0308
Loa Loa (eye worm) hypothetical protein 0.0023 0.0223 0.0129
Leishmania major proteasome regulatory non-ATP-ase subunit 11, putative,19S proteasome regulatory subunit, Metallo- peptidase, Clan MP, Family M6 0.0019 0.0138 0.0652
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.01 0.199 0.236
Echinococcus granulosus regulator of G protein signaling 7 0.0023 0.0223 0.0223
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0499 0.0854
Entamoeba histolytica 26S proteasome non-ATPase regulatory subunit 14, putative 0.0026 0.0278 0.1223
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0668 0.0668
Loa Loa (eye worm) hypothetical protein 0.0035 0.0499 0.0477

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 13.2 uM PUBCHEM_BIOASSAY: Dose response confirmation of uHTS RPN11 inhibitor hits in a Fluorescence Polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 15.5 uM PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a Thrombin Fluorescence Polarization assay. (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) > 100 uM PUBCHEM_BIOASSAY: Dose Response validation of uHTS RPN11 inhibitor hits using a MMP-2 Fluorescence assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.2589 um PUBCHEM_BIOASSAY: Total Fluorescence Counterscreen for Inhibitors of the Interaction of Thyroid Hormone Receptor and Steroid Receptor Coregulator 2. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 1.4125 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10 uM PubChem BioAssay. qHTS for Inhibitors of Glutaminase (GLS). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 11.5821 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402] ChEMBL. No reference
Potency (functional) 12.9953 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.1254 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (binding) 14.1254 uM PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3G interactions: Cherry picks. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 18.3564 uM PubChem BioAssay. qHTS for inhibitors of Vif-A3F interactions: Cherry picks counterscreen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 19.9526 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference
Potency (binding) = 22.3872 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) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.5479 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Fluorescence Polarization Assay for Inhibitors of MLL CXXC domain - DNA interaction. (Class of assay: confirmatory) [Related pubchem assays: 2698 (Summary assay.)] ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Inhibitors of Vif-A3G Interactions: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Inhibitors of WRN Helicase. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. Inhibitors of USP1/UAF1: Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 39.8107 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 56.2341 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
Potency (functional) 75.193 uM PubChem BioAssay. qHTS for Inhibitors of Polymerase Iota: Confirmatory Assay for Cherry-picked Compounds. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 84.9214 uM PubChem BioAssay. qHTS Assay to Find Inhibitors of Pin1. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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