Detailed information for compound 1322936

Basic information

Technical information
  • TDR Targets ID: 1322936
  • Name: [4-(3-morpholin-4-yl-4-nitrophenyl)piperazin- 1-yl]-naphthalen-2-ylmethanone
  • MW: 446.498 | Formula: C25H26N4O4
  • H donors: 0 H acceptors: 3 LogP: 3.8 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccc2c(c1)cccc2)N1CCN(CC1)c1ccc(c(c1)N1CCOCC1)[N+](=O)[O-]
  • InChi: 1S/C25H26N4O4/c30-25(21-6-5-19-3-1-2-4-20(19)17-21)28-11-9-26(10-12-28)22-7-8-23(29(31)32)24(18-22)27-13-15-33-16-14-27/h1-8,17-18H,9-16H2
  • InChiKey: XIBHHWPAYPOTHV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

Synonyms

  • [4-(3-morpholino-4-nitro-phenyl)piperazin-1-yl]-(2-naphthyl)methanone
  • [4-(3-morpholino-4-nitrophenyl)-1-piperazinyl]-(2-naphthyl)methanone
  • [4-(3-morpholin-4-yl-4-nitro-phenyl)piperazin-1-yl]-naphthalen-2-yl-methanone
  • 4-{5-[4-(2-naphthoyl)-1-piperazinyl]-2-nitrophenyl}morpholine
  • MLS000582058
  • SMR000201275

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens SMAD family member 2 Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens huntingtin Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens lysine (K)-specific demethylase 4A Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Brugia malayi hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
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
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
Brugia malayi jmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis Transcription factor, JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Schistosoma japonicum Probable JmjC domain-containing histone demethylation protein 3B, putative Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus Transcription factor JmjC domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma mansoni jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) hypothetical protein 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
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
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
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Loa Loa (eye worm) jmjC domain-containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Echinococcus granulosus jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Brugia malayi MH2 domain containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Plasmodium yoelii hypothetical protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus multilocularis jumonji domain containing protein Get druggable targets OG5_127917 All targets in OG5_127917
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Loa Loa (eye worm) MH2 domain-containing protein Get druggable targets OG5_131716 All targets in OG5_131716
Schistosoma japonicum JmjC domain-containing histone demethylation protein 3C, putative Get druggable targets OG5_127917 All targets in OG5_127917
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
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum expressed protein Get druggable targets OG5_127917 All targets in OG5_127917
Loa Loa (eye worm) transcription factor SMAD2 Get druggable targets OG5_131716 All targets in OG5_131716
Onchocerca volvulus Huntingtin homolog Get druggable targets OG5_132837 All targets in OG5_132837
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504

By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Brugia malayi MH2 domain containing protein SMAD family member 2 467 aa 405 aa 31.6 %
Brugia malayi Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X geminin, DNA replication inhibitor 209 aa 176 aa 27.8 %

Obtained from network model

Ranking Plot


Putative Targets List


Species Potential target Raw Global Species
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0134 0.0293
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.0186 0.1361 0.1991
Echinococcus granulosus snurportin 1 0.0372 0.2863 0.4285
Echinococcus multilocularis tumor protein p63 0.0408 0.3158 0.4735
Treponema pallidum UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1252 1 0.5
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0131 0.3574
Brugia malayi hypothetical protein 0.0152 0.1082 0.7949
Loa Loa (eye worm) PHD-finger family protein 0.0035 0.0134 0.0467
Loa Loa (eye worm) blistered cuticle protein 3 0.0027 0.0067 0.0234
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Entamoeba histolytica hypothetical protein 0.0028 0.0077 0.0684
Mycobacterium ulcerans 3-phosphoshikimate 1-carboxyvinyltransferase 0.0353 0.271 0.271
Loa Loa (eye worm) hypothetical protein 0.0152 0.1082 0.3777
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Echinococcus granulosus peregrin 0.0035 0.0134 0.0119
Brugia malayi PHD-finger family protein 0.0035 0.0134 0.0983
Echinococcus multilocularis muscleblind protein 0.018 0.1311 0.1916
Brugia malayi RNA, U transporter 1 0.0099 0.0651 0.4787
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Mycobacterium ulcerans UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1252 1 1
Brugia malayi Importin beta-1 subunit 0.0035 0.0131 0.096
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0443 0.0591
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0064 0.0365 0.2686
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Trichomonas vaginalis pc-MYB2, putative 0.0028 0.0074 0.8626
Brugia malayi jmjC domain containing protein 0.0115 0.0783 0.5758
Schistosoma mansoni importin beta-1 0.0035 0.0131 0.0114
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0064 0.0365 0.0472
Trichomonas vaginalis pc-MYB2, putative 0.0028 0.0074 0.8626
Loa Loa (eye worm) TAR-binding protein 0.0076 0.0469 0.1637
Giardia lamblia PHD finger protein 15 0.0035 0.0134 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0131 0.0281
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Brugia malayi hypothetical protein 0.0148 0.1048 0.7703
Loa Loa (eye worm) hypothetical protein 0.0035 0.0131 0.0456
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0064 0.0365 0.0472
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0064 0.0365 0.0472
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0077 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0077 1
Echinococcus granulosus lysine specific demethylase 5A 0.0043 0.0194 0.021
Loa Loa (eye worm) RNA binding protein 0.0076 0.0469 0.1637
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0194 0.021
Brugia malayi jmjC domain containing protein 0.0043 0.0194 0.1424
Loa Loa (eye worm) hypothetical protein 0.0148 0.1048 0.3661
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0443 0.0443
Echinococcus multilocularis peregrin 0.0035 0.0134 0.0119
Echinococcus multilocularis snurportin 1 0.0372 0.2863 0.4285
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0443 0.0443
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Brugia malayi Blistered cuticle protein 3 0.0027 0.0067 0.0493
Schistosoma mansoni jumonji/arid domain-containing protein 0.0043 0.0194 0.021
Brugia malayi hypothetical protein 0.0027 0.0067 0.0493
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0115 0.0783 0.111
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Mycobacterium leprae PROBABLE UDP-N-ACETYLGLUCOSAMINE 1-CARBOXYVINYLTRANSFERASE MURA 0.0899 0.7138 1
Brugia malayi Serine/threonine-protein kinase Pim-3 0.0186 0.1361 1
Loa Loa (eye worm) hypothetical protein 0.018 0.1311 0.458
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Loa Loa (eye worm) hypothetical protein 0.006 0.0338 0.118
Echinococcus multilocularis geminin 0.0205 0.1508 0.2216
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0075 0.9137
Schistosoma mansoni peroxidasin 0.0027 0.0067 0.0017
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0443 0.0443
Echinococcus granulosus transcription factor Dp 1 0.0037 0.0148 0.014
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493
Loa Loa (eye worm) hypothetical protein 0.0035 0.0134 0.0467
Mycobacterium tuberculosis Probable UDP-N-acetylglucosamine 1-carboxyvinyltransferase MurA 0.0899 0.7138 1
Echinococcus granulosus microtubule associated protein 2 0.0833 0.6608 1
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.6608 1
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0067 0.0234
Plasmodium falciparum phd finger protein, putative 0.0035 0.0134 1
Echinococcus multilocularis PHD finger protein rhinoceros 0.0035 0.0134 0.0119
Trichomonas vaginalis MYB72, putative 0.0028 0.0074 0.8626
Brugia malayi Bromodomain containing protein 0.0035 0.0134 0.0983
Giardia lamblia Myb 1-like protein 0.0028 0.0075 0.2482
Schistosoma mansoni serine/threonine protein kinase 0.0186 0.1361 0.1991
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0443 0.0591
Onchocerca volvulus Huntingtin homolog 0.0148 0.1048 0.7584
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0035 0.0134 0.0119
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0056 0.0412
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.0469 0.1637
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Echinococcus granulosus muscleblind protein 0.018 0.1311 0.1916
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0365 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0035 0.0134 0.0119
Echinococcus multilocularis muscleblind protein 1 0.018 0.1311 0.1916
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.0469 0.3444
Toxoplasma gondii Myb family DNA-binding domain-containing protein 0.0028 0.0075 0.0073
Trichomonas vaginalis MYB3r3, putative 0.0028 0.0074 0.8626
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0115 0.0783 0.111
Echinococcus multilocularis transcription factor Dp 1 0.0037 0.0148 0.014
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0443 0.0591
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0443 0.0591
Leishmania major importin beta-1 subunit, putative 0.0028 0.0077 0.1742
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.0186 0.1361 1
Schistosoma mansoni jumonji domain containing protein 0.0092 0.0591 0.0817
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylglucosamine 1-carboxyvinyltransferase 0.1252 1 0.5
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0443 0.1458
Trichomonas vaginalis C-MYB, putative 0.0028 0.0074 0.8626
Loa Loa (eye worm) transcription factor SMAD2 0.0144 0.1018 0.3554
Brugia malayi Peroxidasin 0.0027 0.0067 0.0493
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.2863 1
Plasmodium vivax importin-beta 2, putative 0.0035 0.0131 0.9597
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0077 0.2112
Trichomonas vaginalis C-MYB, putative 0.0028 0.0074 0.8626
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0077 1
Leishmania major GTP-binding protein, putative 0.0026 0.0056 0.1265
Onchocerca volvulus Huntingtin homolog 0.0148 0.1048 0.7584
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0131 0.3574
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0067 0.0234
Toxoplasma gondii PHD-finger domain-containing protein 0.0035 0.0134 0.0293
Brugia malayi MH2 domain containing protein 0.0144 0.1018 0.7478
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0056 0.1533
Echinococcus granulosus geminin 0.0205 0.1508 0.2216
Echinococcus multilocularis tar DNA binding protein 0.0076 0.0469 0.063
Echinococcus multilocularis jumonji domain containing protein 0.0049 0.0246 0.0289
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0365 1
Plasmodium falciparum importin beta, putative 0.0035 0.0131 0.9597
Loa Loa (eye worm) hypothetical protein 0.0148 0.1048 0.3661
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0064 0.0365 1
Schistosoma mansoni hypothetical protein 0.0035 0.0134 0.0119
Echinococcus granulosus tumor protein p63 0.0408 0.3158 0.4735
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Loa Loa (eye worm) cytochrome P450 family protein 0.0029 0.0081 0.0282
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0064 0.0365 1
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0056 0.0196
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Loa Loa (eye worm) hypothetical protein 0.018 0.1311 0.458
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.0186 0.1361 0.1991
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0186 0.1361 0.4752
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0131 0.0114
Echinococcus granulosus tar DNA binding protein 0.0076 0.0469 0.063
Echinococcus granulosus jumonji domain containing protein 0.0049 0.0246 0.0289
Onchocerca volvulus 0.0152 0.1082 0.7842
Loa Loa (eye worm) hypothetical protein 0.006 0.0333 0.1162
Echinococcus multilocularis lysine specific demethylase 5A 0.0043 0.0194 0.021
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Schistosoma mansoni hypothetical protein 0.0372 0.2863 0.4285
Echinococcus granulosus peroxidasin 0.0027 0.0067 0.0017
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Loa Loa (eye worm) CAMK/PIM protein kinase 0.0186 0.1361 0.4752
Loa Loa (eye worm) MH2 domain-containing protein 0.0144 0.1018 0.3554
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Schistosoma mansoni hypothetical protein 0.0205 0.1508 0.2216
Schistosoma mansoni peroxidasin 0.0027 0.0067 0.0017
Brugia malayi Cytochrome P450 family protein 0.0029 0.0081 0.0594
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0056 0.1533
Brugia malayi TAR-binding protein 0.0076 0.0469 0.3444
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0134 1
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0075 0.9137
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0067 0.0234
Toxoplasma gondii shikimate dehydrogenase substrate binding domain-containing protein 0.0353 0.271 1
Echinococcus multilocularis peroxidasin 0.0027 0.0067 0.0017
Onchocerca volvulus 0.006 0.0333 0.2053
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Brugia malayi RNA binding protein 0.0076 0.0469 0.3444
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0064 0.0365 0.8251
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Brugia malayi Muscleblind-like protein 0.018 0.1311 0.9637
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0064 0.0365 0.1276
Trichomonas vaginalis r2r3-MYB transcription factor, putative 0.0028 0.0074 0.8626
Trichomonas vaginalis MYB, putative 0.0028 0.0075 0.9137
Entamoeba histolytica myb-like DNA-binding domain containing protein 0.0028 0.0074 0.059
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0443 1
Loa Loa (eye worm) animal heme peroxidase 0.0027 0.0067 0.0234
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0056 0.1533
Loa Loa (eye worm) jmjC domain-containing protein 0.0073 0.0438 0.1529
Onchocerca volvulus Alhambra homolog 0.0035 0.0134 0.0516
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493
Echinococcus granulosus importin subunit beta 1 0.0035 0.0131 0.0114
Schistosoma mansoni cellular tumor antigen P53 0.006 0.0333 0.0422
Brugia malayi Protein kinase domain containing protein 0.0186 0.1361 1
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.6608 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0067 0.0234
Schistosoma mansoni tar DNA-binding protein 0.0076 0.0469 0.063
Schistosoma mansoni hypothetical protein 0.0205 0.1508 0.2216
Loa Loa (eye worm) jmjC domain-containing protein 0.0043 0.0194 0.0677
Brugia malayi Animal haem peroxidase family protein 0.0027 0.0067 0.0493

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.1032 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 0.92 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) 2.5119 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860] ChEMBL. No reference
Potency (functional) 7.3753 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) 8.2753 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) = 8.9125 um PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ] ChEMBL. No reference
Potency (binding) = 14.1254 um PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ] 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) 19.9526 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) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 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 (binding) = 31.6228 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) 31.6228 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 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 (functional) 35.4813 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404] ChEMBL. No reference
Potency (functional) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 44.6684 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) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ] ChEMBL. No reference
Potency (functional) = 50.1187 um PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ] ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Plasmodium falciparum ChEMBL23
Homo sapiens 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.