Detailed information for compound 1350032

Basic information

Technical information
  • TDR Targets ID: 1350032
  • Name: N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitrofur an-2-carboxamide
  • MW: 323.712 | Formula: C12H6ClN3O4S
  • H donors: 1 H acceptors: 4 LogP: 3.74 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc(o1)[N+](=O)[O-])Nc1sc2c(n1)c(Cl)ccc2
  • InChi: 1S/C12H6ClN3O4S/c13-6-2-1-3-8-10(6)14-12(21-8)15-11(17)7-4-5-9(20-7)16(18)19/h1-5H,(H,14,15,17)
  • InChiKey: JBTMPOGBTOJYHS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitro-furan-2-carboxamide
  • N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitro-2-furancarboxamide
  • N-(4-chloro-1,3-benzothiazol-2-yl)-5-nitro-2-furamide
  • BAS 09109863
  • ZINC00567024
  • A3693/0156724
  • 5-Nitro-furan-2-carboxylic acid (4-chloro-benzothiazol-2-yl)-amide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear receptor subfamily 5, group A, member 1 Starlite/ChEMBL No references
Homo sapiens ataxin 2 Starlite/ChEMBL No references
Homo sapiens nuclear receptor subfamily 5, group A, member 2 Starlite/ChEMBL No references
Influenza A virus Nonstructural protein 1 Starlite/ChEMBL No references
Homo sapiens SUMO1/sentrin specific peptidase 7 Starlite/ChEMBL No references
Homo sapiens multiple endocrine neoplasia I No references
Homo sapiens lysine (K)-specific methyltransferase 2A Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi Nuclear hormone receptor family member nhr-25 Get druggable targets OG5_131813 All targets in OG5_131813
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus granulosus FTZ F1 nuclear receptor protein Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus multilocularis sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
Echinococcus granulosus expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Toxoplasma gondii histone lysine methyltransferase SET1 Get druggable targets OG5_130642 All targets in OG5_130642
Echinococcus multilocularis FTZ F1 nuclear receptor protein Get druggable targets OG5_131813 All targets in OG5_131813
Schistosoma mansoni hypothetical protein Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum ko:K08027 nuclear receptor, subfamily 5, group A, member 2, putative Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus granulosus sentrin specific protease 7 Get druggable targets OG5_131076 All targets in OG5_131076
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus multilocularis expressed conserved protein Get druggable targets OG5_131076 All targets in OG5_131076
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus granulosus FTZ F1 alpha Get druggable targets OG5_149993 All targets in OG5_149993
Schistosoma mansoni family C48 unassigned peptidase (C48 family) Get druggable targets OG5_131076 All targets in OG5_131076
Schistosoma japonicum ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative Get druggable targets OG5_130642 All targets in OG5_130642
Brugia malayi Nuclear hormone receptor family member nhr-25 Get druggable targets OG5_131813 All targets in OG5_131813
Echinococcus multilocularis dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus granulosus dnaJ subfamily B Get druggable targets OG5_133913 All targets in OG5_133913
Schistosoma japonicum Menin, putative Get druggable targets OG5_133913 All targets in OG5_133913
Echinococcus multilocularis FTZ F1 alpha Get druggable targets OG5_131813 All targets in OG5_131813
Schistosoma mansoni mixed-lineage leukemia protein mll Get druggable targets OG5_130642 All targets in OG5_130642
Schistosoma japonicum ko:K08596 sentrin-specific protease 7, putative Get druggable targets OG5_131076 All targets in OG5_131076
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein Get druggable targets OG5_131076 All targets in OG5_131076
Neospora caninum Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a Get druggable targets OG5_130642 All targets in OG5_130642
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium tuberculosis Hypothetical protein Nonstructural protein 1   230 aa 202 aa 23.8 %
Echinococcus granulosus FTZ F1 nuclear receptor protein nuclear receptor subfamily 5, group A, member 1 461 aa 460 aa 32.6 %
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein nuclear receptor subfamily 5, group A, member 2 469 aa 431 aa 22.5 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0405 1
Brugia malayi Steroid receptor seven-up type 2 0.0037 0.0531 0.2088
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Onchocerca volvulus Bile acid receptor homolog 0.0037 0.0531 1
Brugia malayi hypothetical protein 0.0017 0.0136 0.0536
Loa Loa (eye worm) hypothetical protein 0.0016 0.0102 0.0389
Schistosoma mansoni cpg binding protein 0.0037 0.0531 0.0479
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0531 0.2088
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Schistosoma mansoni RAR-like nuclear receptor 0.0037 0.0531 0.0478
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0136 0.0135
Schistosoma mansoni steroid hormone receptor ad4bp 0.0037 0.0531 0.0478
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0037 0.0531 0.2079
Loa Loa (eye worm) hypothetical protein 0.0019 0.0178 0.0692
Echinococcus granulosus thyroid hormone receptor alpha 0.0017 0.0136 0.0133
Loa Loa (eye worm) hypothetical protein 0.0037 0.0531 0.2079
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Echinococcus multilocularis ecdysone induced protein 78C 0.0037 0.0531 0.0536
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0016 0.0102 0.5
Brugia malayi hypothetical protein 0.003 0.0405 0.1592
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0019 0.0178 0.0176
Brugia malayi tailless protein 0.0017 0.0136 0.0536
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0037 0.0531 0.0536
Plasmodium falciparum ataxin-2 like protein, putative 0.003 0.0405 1
Brugia malayi nuclear hormone receptor family member odr-7 0.0017 0.0136 0.0536
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Trichomonas vaginalis sentrin/sumo-specific protease, senp8, putative 0.0016 0.0102 0.5
Onchocerca volvulus 0.0017 0.0136 0.0805
Loa Loa (eye worm) Ulp1 protease 0.0016 0.0102 0.0389
Loa Loa (eye worm) DR-78 0.0017 0.0136 0.0525
Brugia malayi hypothetical protein 0.0019 0.0178 0.0702
Brugia malayi nuclear hormone receptor family member nhr-6 0.0017 0.0136 0.0536
Echinococcus granulosus ecdysone induced protein 78C 0.0037 0.0531 0.0528
Brugia malayi nuclear hormone receptor 0.0037 0.0531 0.2088
Echinococcus granulosus expressed conserved protein 0.0163 0.3103 0.3101
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0037 0.0531 0.0528
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0016 0.0102 0.5
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0037 0.0531 0.2088
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0135 0.2542 1
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0014 0.0062 0.006
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0037 0.0531 0.0528
Echinococcus granulosus sentrin specific protease 7 0.0178 0.3421 0.3419
Schistosoma mansoni thyroid hormone receptor 0.0037 0.0531 0.0478
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0037 0.0531 0.2088
Loa Loa (eye worm) CXXC zinc finger family protein 0.0035 0.0491 0.1924
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0037 0.0531 0.2079
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0037 0.0531 0.0536
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0037 0.0531 0.0478
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0037 0.0531 0.2088
Onchocerca volvulus 0.0035 0.0491 0.9081
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0037 0.0531 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0016 0.0102 0.5
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0037 0.0531 0.0478
Brugia malayi nuclear receptor NHR-88 0.0037 0.0531 0.2088
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0037 0.0531 0.0536
Echinococcus multilocularis expressed conserved protein 0.0163 0.3103 0.3147
Echinococcus granulosus sentrin specific protease 1 0.0016 0.0102 0.0099
Leishmania major hypothetical protein, conserved 0.003 0.0405 1
Entamoeba histolytica hypothetical protein 0.0043 0.067 0.1712
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0037 0.0531 0.2079
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0178 0.0702
Brugia malayi conserved hypotetical protein 0.0017 0.0136 0.0536
Loa Loa (eye worm) hypothetical protein 0.0016 0.0102 0.0389
Echinococcus multilocularis FTZ F1 alpha 0.0135 0.2542 0.2577
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Brugia malayi nuclear receptor RXR 0.0017 0.0136 0.0536
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0531 0.0528
Loa Loa (eye worm) hypothetical protein 0.0016 0.0102 0.0389
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0016 0.0102 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0178 0.0692
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0037 0.0531 0.0478
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0017 0.0136 0.0075
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.067 0.062
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.067 0.0667
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0136 0.0075
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0016 0.0102 0.5
Schistosoma mansoni hypothetical protein 0.0099 0.1795 0.1769
Brugia malayi Nuclear hormone receptor-like 1 0.0037 0.0531 0.2088
Loa Loa (eye worm) hypothetical protein 0.0037 0.0531 0.2079
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0016 0.0102 0.04
Brugia malayi nuclear receptor NHR-88 0.0017 0.0136 0.0536
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0016 0.0102 0.5
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0037 0.0531 0.0528
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0136 0.0536
Echinococcus multilocularis thyroid hormone receptor alpha 0.0037 0.0531 0.0536
Brugia malayi Nuclear hormone receptor E75 0.0017 0.0136 0.0536
Brugia malayi nuclear receptor NHR-67 0.0017 0.0136 0.0536
Schistosoma mansoni cpg binding protein 0.0035 0.0491 0.0438
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0135 0.2542 0.2532
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0016 0.0102 0.004
Brugia malayi photoreceptor-specific nuclear receptor 0.0037 0.0531 0.2088
Echinococcus granulosus dnaJ subfamily B 0.0494 0.9855 0.9855
Schistosoma mansoni zinc finger protein 0.0017 0.0136 0.0075
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0037 0.0531 0.0478
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0016 0.0102 0.5
Loa Loa (eye worm) hypothetical protein 0.0037 0.0531 0.2079
Brugia malayi ecdysone receptor 0.0017 0.0136 0.0536
Schistosoma mansoni coup transcription factor 0.0037 0.0531 0.0478
Schistosoma mansoni hypothetical protein 0.0043 0.067 0.062
Echinococcus multilocularis sentrin specific protease 7 0.0178 0.3421 0.3469
Schistosoma mansoni hypothetical protein 0.0494 0.9855 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0178 0.0692
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0016 0.0102 0.04
Brugia malayi Nuclear hormone receptor-like 1 0.0019 0.0178 0.0702
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0037 0.0531 0.2079
Toxoplasma gondii histone lysine methyltransferase SET1 0.0066 0.1124 1
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0019 0.0178 0.0178
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0405 1
Schistosoma mansoni retinoic acid receptor RXR 0.0037 0.0531 0.0478
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0016 0.0102 0.04
Brugia malayi nuclear receptor RXR 0.0019 0.0178 0.0702
Loa Loa (eye worm) nuclear receptor nhr-7B 0.0017 0.0136 0.0525
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0014 0.0062 0.006
Echinococcus multilocularis nuclear receptor nhr 48 0.0017 0.0136 0.0135
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Loa Loa (eye worm) hypothetical protein 0.0037 0.0531 0.2079
Schistosoma mansoni cpg binding protein 0.0037 0.0531 0.0479
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0019 0.0178 0.0118
Trypanosoma cruzi PAB1-binding protein , putative 0.003 0.0405 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0102 0.5
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.067 0.0677
Loa Loa (eye worm) nuclear hormone receptor 0.0017 0.0136 0.0525
Brugia malayi orphan nuclear receptor NR2E1 0.0017 0.0136 0.0536
Brugia malayi hypothetical protein 0.0017 0.0136 0.0536
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0037 0.0531 0.2088
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0037 0.0531 0.2088
Echinococcus multilocularis sentrin specific protease 1 0.0016 0.0102 0.01
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0531 0.0536
Brugia malayi hypothetical protein 0.002 0.0185 0.0727
Brugia malayi hypothetical protein 0.0019 0.0178 0.0702
Schistosoma mansoni nuclear hormone receptor 0.0017 0.0136 0.0075
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0136 0.0805
Chlamydia trachomatis deubiquitinase/deneddylase Dub1 0.0016 0.0102 0.5
Loa Loa (eye worm) hypothetical protein 0.0019 0.0178 0.0692
Schistosoma mansoni nuclear hormone receptor 0.0037 0.0531 0.0478
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0017 0.0136 0.0133
Brugia malayi ecdysteroid receptor 0.0037 0.0531 0.2088
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0037 0.0531 0.2079
Echinococcus multilocularis sentrin specific protease 8 0.0016 0.0102 0.01
Brugia malayi hypothetical protein 0.0043 0.067 0.2636
Loa Loa (eye worm) hypothetical protein 0.003 0.0405 0.1583
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Toxoplasma gondii LsmAD domain-containing protein 0.003 0.0405 0.2965
Loa Loa (eye worm) hypothetical protein 0.0037 0.0531 0.2079
Loa Loa (eye worm) hypothetical protein 0.0037 0.0531 0.2079
Onchocerca volvulus Protein ultraspiracle homolog 0.0037 0.0531 1
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0017 0.0136 0.0805
Echinococcus multilocularis dnaJ subfamily B 0.0494 0.9855 1
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0017 0.0136 0.0135
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0037 0.0531 0.2088
Loa Loa (eye worm) nuclear receptor NHR-67 0.0017 0.0136 0.0525
Schistosoma mansoni nuclear receptor 0.0017 0.0136 0.0075
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0037 0.0531 0.0478
Giardia lamblia Sentrin specific protease, putative 0.0016 0.0102 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0135 0.2542 1
Echinococcus granulosus nuclear receptor nhr 48 0.0017 0.0136 0.0133
Schistosoma mansoni nuclear receptor 0.0017 0.0136 0.0075
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0017 0.0136 0.0133
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0136 0.0133
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0037 0.0531 0.2088
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0531 0.2088
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0037 0.0531 0.2088
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0037 0.0531 0.0536
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0017 0.0136 0.0536
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Loa Loa (eye worm) hypothetical protein 0.0019 0.0178 0.0692
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.0017 0.0136 0.0135
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0037 0.0531 0.2079
Plasmodium vivax ataxin-2 like protein, putative 0.003 0.0405 1
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0016 0.0102 0.5
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0074 0.1284 0.1247
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0178 0.3421 0.343
Loa Loa (eye worm) hypothetical protein 0.0037 0.0531 0.2079
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0016 0.0102 0.004
Echinococcus granulosus cpg binding protein 0.0037 0.0531 0.0529
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0019 0.0178 0.0692
Loa Loa (eye worm) hypothetical protein 0.0135 0.2542 1
Echinococcus granulosus Nuclear hormone receptor HR96 0.0017 0.0136 0.0133
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0037 0.0531 0.0528
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0037 0.0531 0.2088
Echinococcus granulosus sentrin specific protease 8 0.0016 0.0102 0.0099
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0017 0.0136 0.0135
Loa Loa (eye worm) hypothetical protein 0.0017 0.0136 0.0525
Trichomonas vaginalis Clan CE, family C48, Ulp1-like cysteine peptidase 0.0016 0.0102 0.5
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0037 0.0531 0.2079
Brugia malayi CXXC zinc finger family protein 0.0035 0.0491 0.1932
Brugia malayi steroid hormone receptor 0.0037 0.0531 0.2088
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0019 0.0178 0.0118
Schistosoma mansoni nuclear hormone receptor superfamily protein-related 0.0017 0.0136 0.0075
Schistosoma mansoni family C48 unassigned peptidase (C48 family) 0.0016 0.0102 0.004
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0135 0.2542 0.254
Brugia malayi nuclear hormone receptor 0.0017 0.0136 0.0536
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0037 0.0531 0.0528
Schistosoma mansoni thyroid hormone receptor 0.0037 0.0531 0.0478
Loa Loa (eye worm) Ulp1 protease 0.0016 0.0102 0.0389
Entamoeba histolytica Ulp1 protease family, C-terminal catalytic domain containing protein 0.0178 0.3421 1
Loa Loa (eye worm) steroid hormone receptor 0.0037 0.0531 0.2079
Onchocerca volvulus 0.0037 0.0531 1
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0017 0.0136 0.0135
Brugia malayi Ulp1 protease family, C-terminal catalytic domain containing protein 0.0016 0.0102 0.04
Entamoeba histolytica hypothetical protein 0.0043 0.067 0.1712
Chlamydia trachomatis deubiquitinase/deneddylase Dub2 0.0016 0.0102 0.5
Entamoeba histolytica hypothetical protein 0.0043 0.067 0.1712
Onchocerca volvulus 0.0017 0.0136 0.0805
Entamoeba histolytica hypothetical protein 0.0043 0.067 0.1712
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0135 0.2542 0.2577
Trypanosoma brucei PAB1-binding protein , putative 0.003 0.0405 1
Schistosoma mansoni nuclear receptor nhr-48 0.0017 0.0136 0.0075
Echinococcus multilocularis cpg binding protein 0.0037 0.0531 0.0537
Trichomonas vaginalis Sentrin-specific protease, putative 0.0016 0.0102 0.5

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 5.52 uM PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds that inhibit NOD1. uHTS luminescence assay for the identification of compounds that inhibit NOD1, utilizing an NF-kB-mediated luciferase reporter gene activity as a measure of NOD1 modulation (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1575, AID1849, AID1852, AID2250, AID2255, AID2260, AID2261, AID2264, AID2333, AID2334, AID2335, AID2337, AID2466, AID2469, AID2475, AID2483, AID2485, AID2503, AID2505, AID2789, AID2792, AID2793, AID2798, AID2799, AID2800, AID2801] ChEMBL. No reference
IC50 (functional) 0.14761 uM PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) 0.44283 uM PubChem BioAssay. Counterscreen for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2): Luminescence-based cell-based high throughput dose response assay to identify inverse agonists of the Steroidogenic Factor 1 Nuclear Receptor (SF1; NR5A1). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 7.379127 uM PUBCHEM_BIOASSAY: uHTS Fluorescence assay for the identification of cytotoxic compounds among compounds active in NOD1 cell inhibition assay. Cytotoxicity counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1575, AID1578, AID1852, AID2001, AID2260, AID2264, AID2334, AID2335, AID2466, AID2469, AID2475, AID2503, AID2793, AID2798, AID2799, AID2800] ChEMBL. No reference
IC50 (functional) = 13.231 uM PUBCHEM_BIOASSAY: uHTS luminescence assay for the identification of compounds that inhibit NOD2 in MDP treated cells. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1579, AID1849, AID2260, AID2335, AID2469, AID2503, AID2800] ChEMBL. No reference
IC50 (functional) = 17.2 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 7 (SENP7) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID434973, AID434986] ChEMBL. No reference
IC50 (functional) = 18.569 uM PUBCHEM_BIOASSAY: HTS dose response assay for identification of inhibitors of TNFa-specific NF-kB induction. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1566, AID1575, AID1578, AID1579, AID1852, AID2337] ChEMBL. No reference
IC50 (functional) = 20.3 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 6 (SENP6) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2575, AID2582, AID2599] ChEMBL. No reference
IC50 (functional) = 32.9 uM PUBCHEM_BIOASSAY: Dose Response confirmation of uHTS for inhibitors of Sentrin-specific protease 8 (SENP8) using a Luminescent assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2575, AID2582, AID434986] ChEMBL. No reference
IC50 (functional) 35.87 uM PubChem BioAssay. Counterscreen for inverse agonists of the liver receptor homolog-1 (LRH-1; NR5A2): Luminescence-based cell-based high throughput dose response assay to identify inhibitors of the Herpes Virus Virion Protein 16 (VP16). (Class of assay: confirmatory) ChEMBL. No reference
IC50 (functional) = 61.8 uM PUBCHEM_BIOASSAY: Dose Response confirmation of inhibitors of Sentrin-specific proteases (SENPs) using a Caspase-3 Selectivity assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2540, AID2599, AID434973, AID489001] ChEMBL. No reference
Potency (functional) = 0.3162 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 1.4545 uM PUBCHEM_BIOASSAY: qHTS of small molecules that selectively kill Giardia lamblia: Hit Validation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540272] ChEMBL. No reference
Potency (functional) 3.6626 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Primary Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 5.0119 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 5.6234 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) = 10 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 10.691 uM PubChem BioAssay. qHTS of Nrf2 Activators: Hit Validation in Secondary FLuc Assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 13.1154 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) 13.3714 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 19.9526 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 21.3313 uM PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411] ChEMBL. No reference
Potency (functional) 23.1093 uM PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.081 uM PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125] ChEMBL. No reference
Potency (functional) 35.4813 uM PubChem BioAssay. qHTS for Antagonists of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 37.6858 uM PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 50.1187 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636] ChEMBL. No reference
Potency (functional) 63.0957 uM PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709] ChEMBL. No reference
Potency (functional) 89.1251 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) 100 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
Giardia lamblia
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

No literature references available for this target.

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