Detailed information for compound 1858081

Basic information

Technical information
  • TDR Targets ID: 1858081
  • Name: N-[(3-nitrophenyl)methylideneamino]-2-pyrrol- 1-ylbenzamide
  • MW: 334.329 | Formula: C18H14N4O3
  • H donors: 1 H acceptors: 3 LogP: 3.06 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C(c1ccccc1n1cccc1)N/N=C/c1cccc(c1)[N+](=O)[O-]
  • InChi: 1S/C18H14N4O3/c23-18(16-8-1-2-9-17(16)21-10-3-4-11-21)20-19-13-14-6-5-7-15(12-14)22(24)25/h1-13H,(H,20,23)/b19-13+
  • InChiKey: UBILPQVWDOUXCZ-CPNJWEJPSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N-[(3-nitrophenyl)methyleneamino]-2-pyrrol-1-yl-benzamide
  • N-[(3-nitrophenyl)methyleneamino]-2-(1-pyrrolyl)benzamide
  • N-[(3-nitrobenzylidene)amino]-2-pyrrol-1-yl-benzamide
  • N-[(3-nitrophenyl)methylideneamino]-2-pyrrol-1-yl-benzamide
  • SMR000354574
  • CD 02575
  • MLS001018326

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens TAR DNA binding protein Starlite/ChEMBL No references
Homo sapiens muscleblind-like splicing regulator 1 Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis tar DNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus multilocularis muscleblind protein 1 Get druggable targets OG5_132352 All targets in OG5_132352
Brugia malayi TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) TAR-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium parvum importin/karyopherin Get druggable targets OG5_127843 All targets in OG5_127843
Entamoeba histolytica Ran family GTPase Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Muscleblind-like protein Get druggable targets OG5_132352 All targets in OG5_132352
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Babesia bovis importin beta subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Brugia malayi RNA recognition motif domain containing protein Get druggable targets OG5_132461 All targets in OG5_132461
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum TAR DNA-binding protein 43, putative Get druggable targets OG5_132461 All targets in OG5_132461
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132352 All targets in OG5_132352
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni tar DNA-binding protein Get druggable targets OG5_132461 All targets in OG5_132461
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania braziliensis GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi Importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Toxoplasma gondii HEAT repeat-containing protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis muscleblind protein Get druggable targets OG5_132352 All targets in OG5_132352
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
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
Schistosoma mansoni microtubule-associated protein tau 0.0733 1 1
Wolbachia endosymbiont of Brugia malayi DNA gyrase, topoisomerase II, B subunit, GyrB 0.0693 0.9425 1
Mycobacterium ulcerans DNA gyrase subunit B 0.0693 0.9425 1
Echinococcus granulosus muscleblind protein 0.018 0.2088 0.2086
Leishmania major DNA topoisomerase 1A 0.005 0.0213 0.0377
Entamoeba histolytica DNA topoisomerase III, putative 0.005 0.0213 0.0953
Trypanosoma cruzi DNA topoisomerase III, putative 0.005 0.0213 0.0377
Echinococcus multilocularis Protein lozenge 0.0059 0.0349 0.0346
Chlamydia trachomatis DNA gyrase subunit B 0.0693 0.9425 1
Brugia malayi hypothetical protein 0.047 0.6241 1
Treponema pallidum DNA gyrase, subunit A (gyrA) 0.0279 0.3507 0.3576
Treponema pallidum DNA gyrase, subunit B (gyrB) 0.0693 0.9425 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0191 0.2238 0.3359
Brugia malayi RNA, U transporter 1 0.0099 0.0922 0.1474
Giardia lamblia DNA topoisomerase II 0.0169 0.1927 1
Schistosoma mansoni lozenge 0.0059 0.0349 0.0346
Brugia malayi Muscleblind-like protein 0.018 0.2088 0.3342
Echinococcus multilocularis UDP glucose 4 epimerase 0.0106 0.1021 0.1018
Mycobacterium ulcerans bifunctional nicotinate-nucleotide adenylyltransferase NadD/hypothetical protein 0.0303 0.3844 0.3942
Chlamydia trachomatis DNA gyrase subunit A 0.0279 0.3507 0.3576
Schistosoma mansoni hypothetical protein 0.0372 0.4828 0.4827
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0076 0.06 0.0957
Plasmodium vivax DNA gyrase subunit B, putative 0.0693 0.9425 1
Onchocerca volvulus DNA topoisomerase 2 homolog 0.0191 0.2238 0.3359
Leishmania major mitochondrial DNA topoisomerase II 0.0429 0.5654 1
Loa Loa (eye worm) RNA binding protein 0.0076 0.06 0.0957
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.005 0.0213 0.0953
Onchocerca volvulus Putative DNA topoisomerase 2, mitochondrial 0.0191 0.2238 0.3359
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0106 0.1021 0.1632
Trypanosoma cruzi DNA topoisomerase III, putative 0.005 0.0213 0.0377
Echinococcus granulosus neuropeptide receptor A26 0.0491 0.6537 0.6537
Mycobacterium leprae PROBABLE NICOTINATE-NUCLEOTIDE ADENYLYLTRANSFERASE NADD (DEAMIDO-NAD(+) PYROPHOSPHORYLASE) (DEAMIDO-NAD(+) DIPHOSPHORYLASE) (NIC 0.0303 0.3844 1
Chlamydia trachomatis DNA gyrase subunit B 0.0454 0.601 0.6292
Trichomonas vaginalis DNA topoisomerase II, putative 0.0191 0.2238 1
Echinococcus granulosus snurportin 1 0.0372 0.4828 0.4827
Schistosoma mansoni tar DNA-binding protein 0.0076 0.06 0.0597
Schistosoma mansoni prokaryotic DNA topoisomerase 0.005 0.0213 0.0211
Trypanosoma cruzi DNA topoisomerase IA, putative 0.005 0.0213 0.0377
Brugia malayi DNA topoisomerase III 0.005 0.0213 0.0337
Loa Loa (eye worm) DNA topoisomerase III beta-1 0.005 0.0213 0.0337
Mycobacterium tuberculosis DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase) 0.0693 0.9425 1
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0022 0.0031
Echinococcus granulosus DNA topoisomerase 3 beta 1 0.005 0.0213 0.0211
Trypanosoma cruzi DNA topoisomerase II, putative 0.0141 0.1529 0.2704
Echinococcus multilocularis muscleblind protein 0.018 0.2088 0.2086
Trypanosoma brucei DNA topoisomerase II beta, putative 0.0141 0.1529 0.2704
Loa Loa (eye worm) hypothetical protein 0.018 0.2088 0.3342
Leishmania major DNA topoisomerase ii 0.0141 0.1529 0.2704
Toxoplasma gondii ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein 0.04 0.5238 1
Plasmodium vivax DNA topoisomerase II, putative 0.0191 0.2238 0.2372
Trypanosoma cruzi DNA topoisomerase II, putative 0.0141 0.1529 0.2704
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0429 0.5654 1
Loa Loa (eye worm) TOPoisomerase family member 0.0191 0.2238 0.3584
Echinococcus multilocularis muscleblind protein 1 0.018 0.2088 0.2086
Echinococcus multilocularis microtubule associated protein 2 0.0733 1 1
Trypanosoma brucei DNA topoisomerase II alpha, putative 0.0141 0.1529 0.2704
Plasmodium vivax DNA gyrase subunit A, putative 0.0279 0.3507 0.3719
Trypanosoma cruzi mitochondrial DNA topoisomerase II, putative 0.0429 0.5654 1
Trypanosoma brucei DNA topoisomerase ii 0.0429 0.5654 1
Schistosoma mansoni DNA topoisomerase II 0.0191 0.2238 0.2236
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0003 0.0005
Trypanosoma brucei DNA topoisomerase IA, putative 0.005 0.0213 0.0377
Mycobacterium tuberculosis Probable nicotinate-nucleotide adenylyltransferase NadD (deamido-NAD(+) pyrophosphorylase) (deamido-NAD(+) diphosphorylase) (nic 0.0303 0.3844 0.0569
Trypanosoma brucei DNA topoisomerase III, putative 0.005 0.0213 0.0377
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0106 0.1021 0.1806
Toxoplasma gondii DNA topoisomerase 2, putative 0.0191 0.2238 0.4273
Schistosoma mansoni tar DNA-binding protein 0.0076 0.06 0.0597
Toxoplasma gondii UDP-glucose 4-epimerase 0.0106 0.1021 0.1949
Mycobacterium leprae Probable DNA gyrase (subunit A) GyrA (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0133 0.1412 0.3302
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0106 0.1021 0.1806
Brugia malayi DNA topoisomerase III beta-1 0.005 0.0213 0.0337
Entamoeba histolytica DNA topoisomerase III, putative 0.005 0.0213 0.0953
Loa Loa (eye worm) runx1 0.0059 0.0349 0.0555
Echinococcus granulosus DNA topoisomerase 3 alpha 0.005 0.0213 0.0211
Wolbachia endosymbiont of Brugia malayi DNA gyrase subunit A 0.0279 0.3507 0.3576
Brugia malayi DNA topoisomerase II, alpha isozyme 0.0191 0.2238 0.3584
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0003 0.0005
Giardia lamblia UDP-glucose 4-epimerase 0.011 0.1083 0.5074
Trichomonas vaginalis prokaryotic DNA topoisomerase, putative 0.005 0.0213 0.0953
Loa Loa (eye worm) hypothetical protein 0.047 0.6241 1
Entamoeba histolytica DNA topoisomerase II, putative 0.0191 0.2238 1
Leishmania major DNA topoisomerase III, putative 0.005 0.0213 0.0377
Plasmodium falciparum DNA topoisomerase 3, putative 0.005 0.0213 0.0223
Plasmodium falciparum nicotinamide/nicotinic acid mononucleotide adenylyltransferase 0.0303 0.3844 0.4077
Loa Loa (eye worm) TAR-binding protein 0.0076 0.06 0.0957
Mycobacterium ulcerans DNA gyrase subunit A 0.0279 0.3507 0.3576
Loa Loa (eye worm) hypothetical protein 0.0112 0.1113 0.178
Toxoplasma gondii DNA topoisomerase domain-containing protein 0.005 0.0213 0.0407
Trypanosoma cruzi DNA topoisomerase IA, putative 0.005 0.0213 0.0377
Loa Loa (eye worm) hypothetical protein 0.0053 0.0262 0.0416
Schistosoma mansoni hypothetical protein 0.0036 0.0022 0.002
Brugia malayi UDP galactose 4'-epimerase 0.0106 0.1021 0.1632
Leishmania major udp-glc 4-epimerase, putative 0.011 0.1083 0.1915
Plasmodium falciparum DNA gyrase subunit A 0.0279 0.3507 0.3719
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.0012 0.0053
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.0262 0.0416
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0106 0.1021 0.4561
Trichomonas vaginalis rotamase, putative 0.0035 0.0012 0.0053
Brugia malayi TAR-binding protein 0.0076 0.06 0.0957
Brugia malayi RNA binding protein 0.0076 0.06 0.0957
Onchocerca volvulus 0.047 0.6241 1
Plasmodium falciparum DNA gyrase subunit B 0.0693 0.9425 1
Echinococcus granulosus tar DNA binding protein 0.0076 0.06 0.0597
Echinococcus granulosus expressed protein 0.0035 0.0012 0.0009
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.0191 0.2238 0.3584
Schistosoma mansoni UDP-glucose 4-epimerase 0.0106 0.1021 0.1018
Plasmodium vivax nicotinate-nucleotide adenylyltransferase, putative 0.0303 0.3844 0.4077
Schistosoma mansoni rotamase 0.0035 0.0012 0.0009
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.0262 0.0416
Loa Loa (eye worm) hypothetical protein 0.0036 0.0022 0.0031
Echinococcus granulosus DNA topoisomerase 2 alpha 0.0191 0.2238 0.2236
Loa Loa (eye worm) hypothetical protein 0.0112 0.1113 0.178
Brugia malayi Probable DNA topoisomerase II 0.0191 0.2238 0.3584
Trypanosoma brucei DNA topoisomerase III, putative 0.005 0.0213 0.0377
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0106 0.1021 0.4561
Brugia malayi GRF zinc finger family protein 0.005 0.0213 0.0337
Echinococcus multilocularis neuropeptide receptor A26 0.0491 0.6537 0.6537
Schistosoma mansoni tar DNA-binding protein 0.0076 0.06 0.0597
Mycobacterium leprae Probable DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (Type II DNA topoisomerase) 0.0238 0.292 0.7454
Echinococcus multilocularis DNA topoisomerase 3 beta 1 0.005 0.0213 0.0211
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.0262 0.0416
Trypanosoma cruzi DNA topoisomerase III, putative 0.005 0.0213 0.0377
Echinococcus granulosus neuropeptide s receptor 0.0491 0.6537 0.6537
Toxoplasma gondii DNA topoisomerase family protein 0.005 0.0213 0.0407
Toxoplasma gondii DNA gyrase/topoisomerase IV, A subunit domain-containing protein 0.0279 0.3507 0.6696
Echinococcus multilocularis expressed protein 0.0035 0.0012 0.0009
Echinococcus multilocularis rho GTPase activating protein 20 0.005 0.0213 0.0211
Schistosoma mansoni prokaryotic DNA topoisomerase 0.005 0.0213 0.0211
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.0191 0.2238 0.2236
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0106 0.1021 0.4561
Echinococcus multilocularis snurportin 1 0.0372 0.4828 0.4827
Brugia malayi Pin1-type peptidyl-prolyl cis-trans isomerase, BmPin1 0.0035 0.0012 0.0015
Echinococcus granulosus UDP glucose 4 epimerase 0.0106 0.1021 0.1018
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0003 0.0005
Loa Loa (eye worm) DNA topoisomerase III 0.005 0.0213 0.0337
Trypanosoma brucei UDP-galactose 4-epimerase 0.011 0.1083 0.1915
Loa Loa (eye worm) Pin1-type peptidyl-prolyl cis-trans isomerase 0.0035 0.0012 0.0015
Plasmodium falciparum DNA topoisomerase 2 0.0191 0.2238 0.2372
Leishmania major DNA topoisomerase III, putative 0.005 0.0213 0.0377
Treponema pallidum hypothetical protein 0.0303 0.3844 0.3942
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.4828 0.7736
Loa Loa (eye worm) hypothetical protein 0.047 0.6241 1
Schistosoma mansoni tar DNA-binding protein 0.0076 0.06 0.0597
Echinococcus multilocularis tar DNA binding protein 0.0076 0.06 0.0597
Plasmodium vivax DNA topoisomerase 3, putative 0.005 0.0213 0.0223
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0106 0.1021 0.4561
Brugia malayi RNA recognition motif domain containing protein 0.0076 0.06 0.0957
Echinococcus multilocularis neuropeptide s receptor 0.0491 0.6537 0.6537
Schistosoma mansoni tar DNA-binding protein 0.0076 0.06 0.0597
Loa Loa (eye worm) hypothetical protein 0.018 0.2088 0.3342

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 4.1475 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) 7.3078 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262] 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 of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3342 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) 25.9185 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: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) 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) 50.1187 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) 79.4328 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) = 89.1251 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of DNA Polymerase Beta. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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