Detailed information for compound 1287432

Basic information

Technical information
  • TDR Targets ID: 1287432
  • Name: (E)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4 -morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
  • MW: 483.58 | Formula: C25H29N3O5S
  • H donors: 0 H acceptors: 4 LogP: 1.86 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(N1CCN(CC1)c1ccc(cc1)C(=O)C)/C=C/c1ccc(cc1)S(=O)(=O)N1CCOCC1
  • InChi: 1S/C25H29N3O5S/c1-20(29)22-5-7-23(8-6-22)26-12-14-27(15-13-26)25(30)11-4-21-2-9-24(10-3-21)34(31,32)28-16-18-33-19-17-28/h2-11H,12-19H2,1H3/b11-4+
  • InChiKey: OZLDOJFQWSKNLL-NYYWCZLTSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
  • 1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one
  • (E)-1-[4-(4-acetylphenyl)piperazin-1-yl]-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one
  • 1-[4-(4-acetylphenyl)-1-piperazinyl]-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one
  • (E)-1-[4-(4-acetylphenyl)-1-piperazinyl]-3-(4-morpholinosulfonylphenyl)prop-2-en-1-one
  • 1-[4-[4-[3-(4-morpholinosulfonylphenyl)acryloyl]piperazin-1-yl]phenyl]ethanone
  • 1-[4-[4-[(E)-3-(4-morpholinosulfonylphenyl)acryloyl]piperazin-1-yl]phenyl]ethanone
  • 1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
  • (E)-1-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-(4-morpholin-4-ylsulfonylphenyl)prop-2-en-1-one
  • T5347425
  • MLS000760768
  • SMR000370867

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens survival of motor neuron 2, centromeric Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0013 0.0144 0.0069
Mycobacterium ulcerans hypothetical protein 0.0019 0.036 1
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0023 0.0468 0.0443
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0933 0.0978
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0635 0.0556
Loa Loa (eye worm) hypothetical protein 0.0019 0.036 0.0365
Loa Loa (eye worm) hypothetical protein 0.0017 0.0283 0.0277
Schistosoma mansoni glucose transport protein 0.0076 0.2158 0.5103
Plasmodium falciparum calcium-dependent protein kinase 4 0.0024 0.0496 0.0416
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0076 0.2158 0.2388
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0027 0.0588 0.4894
Plasmodium vivax lysine--tRNA ligase, putative 0.0017 0.0283 0.0201
Loa Loa (eye worm) hypothetical protein 0.0028 0.0635 0.068
Brugia malayi hypothetical protein 0.0028 0.0635 0.0635
Leishmania major glucose transporter, lmgt1 0.0024 0.0493 0.3968
Brugia malayi AMP-binding enzyme family protein 0.0019 0.036 0.0319
Leishmania major glucose transporter, lmgt3 0.0024 0.0493 0.3968
Plasmodium vivax ataxin-2 like protein, putative 0.0028 0.0635 0.0556
Brugia malayi MAP kinase sur-1 0.0043 0.1115 0.1187
Trypanosoma brucei THT1 - hexose transporter, putative 0.0024 0.0493 0.3968
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0023 0.0468 0.0443
Entamoeba histolytica acyl-CoA synthetase, putative 0.0019 0.036 0.0929
Loa Loa (eye worm) hypothetical protein 0.0015 0.0205 0.0187
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.1115 0.4972
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0023 0.0468 0.0946
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0043 0.1115 0.1588
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0019 0.036 1
Echinococcus granulosus mitogen activated protein kinase 0.0043 0.1115 0.1187
Mycobacterium ulcerans acyl-CoA synthetase 0.0019 0.036 1
Plasmodium vivax calcium-dependent protein kinase, putative 0.0024 0.0496 0.0416
Loa Loa (eye worm) hypothetical protein 0.0015 0.0205 0.0187
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0024 0.0495 0.0474
Entamoeba histolytica acyl-CoA synthetase, putative 0.0019 0.036 0.0929
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0024 0.0496 0.0635
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0124 0.3656 0.5503
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0011 0.0084 0.2319
Schistosoma mansoni lysyl-tRNA synthetase 0.0017 0.0283 0.049
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Loa Loa (eye worm) sugar transporter 0.0011 0.0084 0.0048
Plasmodium falciparum calcium-dependent protein kinase 2 0.0024 0.0496 0.0416
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0493 0.1973
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0124 0.3656 0.3603
Schistosoma mansoni hypothetical protein 0.0013 0.0144 0.0148
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0014 0.0202 0.4268
Loa Loa (eye worm) hypothetical protein 0.0286 0.877 1
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0023 0.0468 0.0946
Giardia lamblia Lysyl-tRNA synthetase 0.0017 0.0283 0.1933
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0076 0.2158 0.2388
Schistosoma mansoni lysyl-tRNA synthetase 0.0017 0.0283 0.049
Schistosoma mansoni glucose transport protein 0.0076 0.2158 0.5103
Echinococcus granulosus mitogen activated protein kinase 3 0.0043 0.1115 0.1187
Brugia malayi hypothetical protein 0.0018 0.0319 0.0271
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0038 0.0933 0.0978
Loa Loa (eye worm) hypothetical protein 0.0023 0.0468 0.0489
Mycobacterium ulcerans sugar transporter 0.0011 0.0084 0.2319
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0043 0.1115 0.123
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0933 0.209
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0027 0.0588 0.4894
Brugia malayi Trypsin family protein 0.0077 0.2194 0.2429
Loa Loa (eye worm) hypothetical protein 0.0019 0.036 0.0365
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.018 0.3465
Toxoplasma gondii lysine-tRNA ligase 0.0017 0.0283 0.0307
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0015 0.0205 0.5678
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.036 0.2685
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0024 0.0496 0.0635
Trypanosoma brucei glucose transporter, putative 0.0024 0.0493 0.3968
Plasmodium falciparum protein kinase 7 0.0216 0.6575 0.6547
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0015 0.0217 0.0641
Trypanosoma cruzi hexose transporter 0.0024 0.0493 0.3968
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0024 0.0496 0.0416
Loa Loa (eye worm) hypothetical protein 0.0077 0.2194 0.2466
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0933 0.209
Chlamydia trachomatis lysine--tRNA ligase 0.0017 0.0283 1
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0023 0.0468 0.2221
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0043 0.1115 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Trypanosoma brucei glucose transporter 1E 0.0024 0.0493 0.3968
Brugia malayi lysyl-tRNA synthetase 0.0017 0.0283 0.023
Echinococcus multilocularis mitogen activated protein kinase 0.0043 0.1115 0.1187
Echinococcus granulosus General substrate transporter 0.0066 0.1818 0.1997
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0635 0.5347
Brugia malayi hypothetical protein 0.0286 0.877 1
Brugia malayi Cam kinase protein 1 0.0024 0.0495 0.0474
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0017 0.0283 0.785
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0023 0.0468 0.0443
Loa Loa (eye worm) sugar transporter 0.0076 0.2158 0.2425
Toxoplasma gondii LsmAD domain-containing protein 0.0028 0.0635 0.0849
Trichomonas vaginalis sugar transporter, putative 0.0024 0.0493 0.1973
Trypanosoma brucei THT1 - hexose transporter, putative 0.0024 0.0493 0.3968
Onchocerca volvulus 0.0072 0.2034 0.9243
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0024 0.0496 0.0416
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.1117 0.119
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0076 0.2158 0.2388
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0019 0.036 1
Plasmodium falciparum proline--tRNA ligase 0.0027 0.0588 0.0509
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0076 0.2158 0.2388
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0043 0.1115 1
Toxoplasma gondii protein kinase, putative 0.0216 0.6575 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.036 0.0365
Schistosoma mansoni hypothetical protein 0.0139 0.4149 1
Schistosoma mansoni hypothetical protein 0.0076 0.2158 0.5103
Trypanosoma cruzi hexose transporter, putative 0.0024 0.0493 0.3968
Trypanosoma brucei glucose transporter, putative 0.0024 0.0493 0.3968
Trypanosoma brucei glucose transporter, putative 0.0024 0.0493 0.3968
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0017 0.0283 0.0961
Trypanosoma cruzi hexose transporter, putative 0.0024 0.0493 0.3968
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0024 0.0495 0.0474
Plasmodium falciparum lysine--tRNA ligase 0.0017 0.0283 0.0201
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0076 0.2158 0.2388
Echinococcus granulosus lysyl tRNA synthetase 0.0017 0.0283 0.023
Schistosoma mansoni serine/threonine protein kinase 0.0024 0.0495 0.1013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0038 0.0933 0.209
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0023 0.0468 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0019 0.036 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Schistosoma mansoni protein kinase 0.0024 0.0495 0.1013
Echinococcus multilocularis General substrate transporter 0.0066 0.1818 0.1997
Plasmodium falciparum ataxin-2 like protein, putative 0.0028 0.0635 0.0556
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.877 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0205 0.0187
Leishmania major glucose transporter/membrane transporter D2, putative 0.0024 0.0493 0.3968
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Leishmania major protein kinase, putative 0.0024 0.0495 0.3992
Trichomonas vaginalis CAMK family protein kinase 0.0024 0.0495 0.1985
Trichomonas vaginalis conserved hypothetical protein 0.0024 0.0493 0.1973
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0024 0.0495 0.0474
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0027 0.0588 0.0777
Brugia malayi AMP-binding enzyme family protein 0.0019 0.036 0.0319
Trypanosoma cruzi hexose transporter, putative 0.0024 0.0493 0.3968
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0024 0.0495 0.0474
Loa Loa (eye worm) hypothetical protein 0.0077 0.2194 0.2466
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0038 0.0933 0.1022
Trypanosoma brucei PAB1-binding protein , putative 0.0028 0.0635 0.5347
Trypanosoma brucei glucose transporter, putative 0.0024 0.0493 0.3968
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.018 0.3465
Onchocerca volvulus 0.0019 0.036 0.1312
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0024 0.0496 0.0416
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0024 0.0495 0.0474
Loa Loa (eye worm) hypothetical protein 0.0015 0.0205 0.0187
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.036 1
Entamoeba histolytica protein kinase, putative 0.0024 0.0495 0.2544
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.0011 0.0084 0.5
Leishmania major glucose transporter, lmgt2 0.0024 0.0493 0.3968
Entamoeba histolytica acyl-coA synthetase, putative 0.0019 0.036 0.0929
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0017 0.0283 0.1933
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0023 0.0468 0.1855
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1585 0.1729
Loa Loa (eye worm) major facilitator superfamily transporter 0.0011 0.0084 0.0048
Trypanosoma brucei glucose transporter, putative 0.0024 0.0493 0.3968
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0043 0.1115 1
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0011 0.0084 0.2319
Trichomonas vaginalis conserved hypothetical protein 0.0076 0.2158 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0205 0.0187
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0024 0.0495 0.052
Trichomonas vaginalis sugar transporter, putative 0.0024 0.0493 0.1973
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0043 0.1115 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0019 0.036 1
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.1115 0.4972
Trichomonas vaginalis glucose transporter, putative 0.0024 0.0493 0.1973
Trypanosoma cruzi hexose transporter, putative 0.0013 0.0153 0.0677
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.036 0.2685
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0019 0.036 1
Schistosoma mansoni hypothetical protein 0.0058 0.1585 0.3694
Loa Loa (eye worm) hypothetical protein 0.0024 0.0495 0.052
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Entamoeba histolytica hypothetical protein 0.0043 0.1117 1
Plasmodium falciparum calcium-dependent protein kinase 3 0.0024 0.0496 0.0416
Giardia lamblia Kinase, CMGC MAPK 0.0043 0.1115 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0019 0.036 1
Plasmodium vivax hexose transporter 0.0076 0.2158 0.2092
Schistosoma mansoni survival motor neuron protein 0.0058 0.1585 0.3694
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0933 0.0978
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0015 0.0205 0.4373
Trichomonas vaginalis sugar transporter, putative 0.0024 0.0493 0.1973
Trypanosoma brucei glucose transporter, putative 0.0024 0.0493 0.3968
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Giardia lamblia Prolyl-tRNA synthetase 0.0023 0.0468 0.3731
Loa Loa (eye worm) hypothetical protein 0.0023 0.0468 0.0489
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0017 0.0283 0.3046
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Entamoeba histolytica hypothetical protein 0.0043 0.1117 1
Echinococcus multilocularis calcium dependent protein kinase 0.0022 0.0438 0.0407
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0024 0.0495 0.052
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Leishmania major lysyl-tRNA synthetase, putative 0.0017 0.0283 0.1933
Echinococcus granulosus calcium dependent protein kinase 0.0022 0.0438 0.0407
Entamoeba histolytica hypothetical protein 0.0043 0.1117 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.018 0.3465
Mycobacterium ulcerans integral membrane transport protein 0.0011 0.0084 0.2319
Entamoeba histolytica protein kinase, putative 0.0024 0.0495 0.2544
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.1117 0.119
Schistosoma mansoni hypothetical protein 0.0139 0.4149 1
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0023 0.0468 0.0443
Loa Loa (eye worm) major facilitator superfamily transporter 0.0011 0.0084 0.0048
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0013 0.0144 0.0069
Brugia malayi AMP-binding enzyme family protein 0.0019 0.036 0.0319
Trypanosoma brucei glucose transporter, putative 0.0024 0.0493 0.3968
Plasmodium falciparum calcium-dependent protein kinase 1 0.0024 0.0496 0.0416
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0024 0.0495 0.0474
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0024 0.0496 0.0635
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.1115 0.4972
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0076 0.2158 0.2388
Onchocerca volvulus 0.0077 0.2194 1
Trypanosoma cruzi PAB1-binding protein , putative 0.0028 0.0635 0.5347
Leishmania major hypothetical protein, conserved 0.0028 0.0635 0.5347
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0076 0.2158 0.2388
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0043 0.1115 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0333 0.0333
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0014 0.018 0.3465
Schistosoma mansoni protein kinase 0.0024 0.0495 0.1013
Echinococcus multilocularis lysyl tRNA synthetase 0.0017 0.0283 0.023
Schistosoma mansoni glucose transport protein 0.0076 0.2158 0.5103
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0076 0.2158 0.2388
Echinococcus multilocularis mitogen activated protein kinase 3 0.0043 0.1115 0.1187
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0038 0.0933 0.0978
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0027 0.0588 0.4894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0024 0.0495 0.0474
Plasmodium vivax proline--tRNA ligase, putative 0.0027 0.0588 0.0509
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0027 0.0588 0.4894
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0024 0.0495 0.0474
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.1117 0.2543
Entamoeba histolytica hypothetical protein 0.0043 0.1117 1
Schistosoma mansoni serine/threonine protein kinase 0.0043 0.1115 0.2537
Echinococcus multilocularis geminin 0.0139 0.4149 0.468
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.877 1
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0017 0.0283 0.1933
Leishmania major 4-coumarate:coa ligase-like protein 0.0019 0.036 0.2685
Toxoplasma gondii facilitative glucose transporter GT1 0.0076 0.2158 0.3195
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0019 0.036 1
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Plasmodium falciparum hexose transporter 0.0076 0.2158 0.2092
Echinococcus granulosus geminin 0.0139 0.4149 0.468
Onchocerca volvulus 0.0058 0.1585 0.7116
Brugia malayi hypothetical protein 0.0043 0.1117 0.119
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0015 0.0205 0.7234
Brugia malayi Sugar transporter family protein 0.0076 0.2158 0.2388
Trypanosoma brucei THT1 - hexose transporter, putative 0.0024 0.0493 0.3968
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0019 0.036 0.5954
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Plasmodium falciparum calcium-dependent protein kinase 5 0.0024 0.0496 0.0416
Plasmodium falciparum mitogen-activated protein kinase 2 0.0124 0.3656 0.3603
Trichomonas vaginalis CMGC family protein kinase 0.0043 0.1115 0.4972
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Trypanosoma brucei glucose transporter, putative 0.0024 0.0493 0.3968
Loa Loa (eye worm) hypothetical protein 0.0011 0.0084 0.0048
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0027 0.0588 0.4894
Schistosoma mansoni hypothetical protein 0.0043 0.1117 0.2543
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0043 0.1115 1
Plasmodium vivax acyl-CoA synthetase, putative 0.0015 0.0205 0.0122
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0019 0.036 0.5954
Trichomonas vaginalis glucose transporter, putative 0.0024 0.0493 0.1973
Schistosoma mansoni protein kinase 0.0024 0.0495 0.1013
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0077 0.2194 0.5191
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0024 0.0495 0.3992
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0014 0.0202 0.4268
Plasmodium falciparum acyl-CoA synthetase 0.0015 0.0205 0.0122
Trypanosoma brucei glucose transporter 2A 0.0024 0.0493 0.3968
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0017 0.0283 0.785
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0024 0.0495 0.0474
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0038 0.0933 0.0978
Schistosoma mansoni subfamily S1A unassigned peptidase (S01 family) 0.0077 0.2194 0.5191
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0043 0.1115 1
Trypanosoma brucei protein kinase, putative 0.0043 0.1115 1

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 2.5929 uM PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648] ChEMBL. No reference
Potency (functional) 10.4179 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) = 11.2202 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 14.7157 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) 20.5878 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) 29.0929 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 (binding) = 39.8107 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 (functional) 63.0957 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
Plasmodium falciparum ChEMBL23

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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