Detailed information for compound 1427131

Basic information

Technical information
  • TDR Targets ID: 1427131
  • Name: 3-bromo-N-[(5-hydroxynaphthalen-1-yl)carbamot hioyl]benzamide
  • MW: 401.277 | Formula: C18H13BrN2O2S
  • H donors: 3 H acceptors: 2 LogP: 5.1 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: S=C(Nc1cccc2c1cccc2O)NC(=O)c1cccc(c1)Br
  • InChi: 1S/C18H13BrN2O2S/c19-12-5-1-4-11(10-12)17(23)21-18(24)20-15-8-2-7-14-13(15)6-3-9-16(14)22/h1-10,22H,(H2,20,21,23,24)
  • InChiKey: CYROQEYYQWKRRW-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-bromo-N-[(5-hydroxy-1-naphthyl)carbamothioyl]benzamide
  • 3-bromo-N-[[(5-hydroxy-1-naphthyl)amino]-thioxomethyl]benzamide
  • 3-bromo-N-[(5-hydroxy-1-naphthyl)thiocarbamoyl]benzamide
  • NSC215718
  • SMR000528784
  • MLS000756535

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens aldehyde dehydrogenase 1 family, member A1 Starlite/ChEMBL No references
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Mus musculus RAR-related orphan receptor gamma Starlite/ChEMBL No references
Homo sapiens microtubule-associated protein tau Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens nuclear factor, erythroid 2-like 2 Starlite/ChEMBL No references
Homo sapiens geminin, DNA replication inhibitor Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens adrenoceptor beta 2, surface Starlite/ChEMBL No references
Homo sapiens snurportin 1 No references
Homo sapiens chromobox homolog 1 Starlite/ChEMBL No references

Predicted pathogen targets for this compound

By orthology
Species Potential target Known druggable target/s Ortholog Group
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni ran Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Aldehyde dehydrogenase X, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Theileria parva hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis Importin beta-1 subunit, putative 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
Trypanosoma cruzi importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Brugia malayi Importin beta-1 subunit 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
Leishmania braziliensis aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni importin beta-1 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
Echinococcus granulosus microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Echinococcus multilocularis snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Loa Loa (eye worm) nucleolar RNA-associated protein alpha Get druggable targets OG5_131808 All targets in OG5_131808
Schistosoma japonicum Retinal dehydrogenase 1, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania mexicana aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma japonicum Importin subunit beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 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
Leishmania mexicana importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni ran 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
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Giardia lamblia Fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus multilocularis microtubule associated protein 2 Get druggable targets OG5_133504 All targets in OG5_133504
Treponema pallidum fructose-bisphosphate aldolase Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis chromobox protein, putative Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi Heterochromatin protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Aldehyde dehydrogenase, mitochondrial precursor, putative Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis importin beta-1, 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
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis GTP-binding protein, putative 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
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Neospora caninum hypothetical protein Get druggable targets OG5_126638 All targets in OG5_126638
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Echinococcus multilocularis chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania mexicana GTP-binding protein, 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
Cryptosporidium parvum importin/karyopherin 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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma mansoni microtubule-associated protein tau Get druggable targets OG5_133504 All targets in OG5_133504
Mycobacterium tuberculosis Probable aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania donovani aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_129545 All targets in OG5_129545
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus chromobox protein 1 Get druggable targets OG5_129545 All targets in OG5_129545
Brugia malayi RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Mitochondrial aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Cryptosporidium parvum GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) Get druggable targets OG5_131088 All targets in OG5_131088
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Trichomonas vaginalis fructose-bisphosphate aldolase, putative Get druggable targets OG5_129214 All targets in OG5_129214
Leishmania donovani importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Chromobox protein homolog 5, putative Get druggable targets OG5_129545 All targets in OG5_129545
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, 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
Echinococcus granulosus aldehyde dehydrogenase mitochondrial Get druggable targets OG5_126638 All targets in OG5_126638
Schistosoma japonicum ko:K04380 microtubule-associated protein tau, putative Get druggable targets OG5_133504 All targets in OG5_133504
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Onchocerca volvulus Heterochromatin protein 1 homolog Get druggable targets OG5_129545 All targets in OG5_129545
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Entamoeba histolytica Ran family GTPase 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
Trichomonas vaginalis Importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Babesia bovis importin beta subunit, 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
Schistosoma mansoni chromobox protein Get druggable targets OG5_129545 All targets in OG5_129545
Leishmania major aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
Mycobacterium ulcerans aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania infantum GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans Ran, Ras family GTP-binding protein Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii HEAT repeat-containing protein 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
Trypanosoma congolense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma mansoni aldehyde dehydrogenase Get druggable targets OG5_126638 All targets in OG5_126638
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Leishmania infantum aldehyde dehydrogenase, mitochondrial precursor Get druggable targets OG5_126638 All targets in OG5_126638
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Mycobacterium ulcerans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 26.9 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Candida albicans fructose-bisphosphate aldolase Putative fructose-1,6-bisphosphate aldolase   323 aa 358 aa 22.6 %
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.5 %
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba Putative fructose-1,6-bisphosphate aldolase   323 aa 361 aa 25.8 %
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
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 %
Mycobacterium tuberculosis Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1 aldehyde dehydrogenase 1 family, member A1 501 aa 456 aa 33.3 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0012 0.0018
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.2706 1
Trypanosoma brucei isocitrate dehydrogenase, putative 0.0291 0.2196 1
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0291 0.2196 0.3297
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0291 0.2196 0.3297
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0405 0.0597
Entamoeba histolytica hypothetical protein 0.0043 0.0159 0.0544
Loa Loa (eye worm) hypothetical protein 0.0035 0.0092 0.0092
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0234 0.1019
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0076 0.0237
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0392 0.3028 0.4547
Trichomonas vaginalis isocitrate dehydrogenase, putative 0.0035 0.0092 0.0297
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0073 0.0405 0.1798
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0187 0.1339 1
Loa Loa (eye worm) isocitrate dehydrogenase gamma subunit 0.0035 0.0092 0.0092
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0446 0.3468 0.3468
Plasmodium vivax isocitrate dehydrogenase [NADP], mitochondrial, putative 0.0291 0.2196 1
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.0256 0.0256
Echinococcus granulosus tar DNA binding protein 0.0446 0.3468 0.5208
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0033 0.008
Brugia malayi hypothetical protein 0.0034 0.0081 0.0081
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0012 0.0012
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0405 0.2771
Brugia malayi isocitrate dehydrogenase [NAD] subunit alpha, mitochondrial 0.0035 0.0092 0.0092
Brugia malayi photoreceptor-specific nuclear receptor 0.0304 0.2301 0.2301
Giardia lamblia Fructose-bisphosphate aldolase 0.0353 0.2706 1
Schistosoma mansoni tar DNA-binding protein 0.0446 0.3468 0.512
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.286 0.286
Brugia malayi latrophilin 2 splice variant baaae 0.0847 0.6773 0.6773
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0033 0.008
Toxoplasma gondii isocitrate dehydrogenase 0.0291 0.2196 1
Schistosoma mansoni hypothetical protein 0.0392 0.3028 0.4471
Schistosoma mansoni hypothetical protein 0.0392 0.3028 0.4471
Schistosoma mansoni hypothetical protein 0.0847 0.6773 1
Trypanosoma brucei isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0291 0.2196 1
Leishmania major isocitrate dehydrogenase, putative 0.0035 0.0092 0.0366
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0088 0.0132
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2706 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0047 0.0189 0.1413
Brugia malayi Isocitrate dehydrogenase subunit gamma, mitochondrial precursor 0.0035 0.0092 0.0092
Toxoplasma gondii LsmAD domain-containing protein 0.0053 0.0234 0.1019
Echinococcus granulosus chromobox protein 1 0.0084 0.0493 0.0741
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0256 0.0377
Loa Loa (eye worm) RNA binding protein 0.0446 0.3468 0.3468
Leishmania major importin beta-1 subunit, putative 0.0028 0.0033 0.0098
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0392 0.3028 0.4547
Schistosoma mansoni unc-13 (munc13) 0.0035 0.0092 0.0136
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0353 0.2706 1
Brugia malayi hypothetical protein 0.0043 0.0159 0.0159
Mycobacterium tuberculosis Probable isocitrate dehydrogenase [NADP] Icd1 (oxalosuccinate decarboxylase) (IDH) (NADP+-specific ICDH) (IDP) 0.0291 0.2196 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0405 0.2771
Brugia malayi TAR-binding protein 0.0446 0.3468 0.3468
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0043 0.0159 0.0238
Wolbachia endosymbiont of Brugia malayi isocitrate dehydrogenase 0.0035 0.0092 0.5
Schistosoma mansoni hypothetical protein 0.0372 0.286 0.4223
Loa Loa (eye worm) hypothetical protein 0.0847 0.6773 0.6773
Loa Loa (eye worm) hypothetical protein 0.0304 0.2301 0.2301
Mycobacterium ulcerans aldehyde dehydrogenase 0.0073 0.0405 0.2771
Schistosoma mansoni ran 0.0026 0.0012 0.0018
Echinococcus granulosus importin subunit beta 1 0.0035 0.0088 0.0132
Plasmodium vivax ataxin-2 like protein, putative 0.0053 0.0234 0.1019
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0033 0.008
Loa Loa (eye worm) pigment dispersing factor receptor c 0.1239 1 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0088 0.0346
Plasmodium falciparum isocitrate dehydrogenase [NADP], mitochondrial 0.0291 0.2196 1
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0172 0.122 1
Schistosoma mansoni isocitrate dehydrogenase 0.0035 0.0092 0.0136
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0043 0.0159 0.0238
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2706 1
Entamoeba histolytica hypothetical protein 0.0028 0.0033 0.008
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0172 0.122 0.5362
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0256 0.0384
Loa Loa (eye worm) isocitrate dehydrogenase 0.0291 0.2196 0.2196
Schistosoma mansoni transcription factor LCR-F1 0.0043 0.0159 0.0234
Brugia malayi RNA, U transporter 1 0.0099 0.0616 0.0616
Schistosoma mansoni tar DNA-binding protein 0.0446 0.3468 0.512
Loa Loa (eye worm) latrophilin receptor protein 2 0.0392 0.3028 0.3028
Schistosoma mansoni hypothetical protein 0.0043 0.0159 0.0234
Schistosoma mansoni chromobox protein 0.0084 0.0493 0.0729
Loa Loa (eye worm) hypothetical protein 0.0035 0.0088 0.0088
Brugia malayi Probable isocitrate dehydrogenase 0.0035 0.0092 0.0092
Brugia malayi RNA recognition motif domain containing protein 0.0446 0.3468 0.3468
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0291 0.2196 0.3297
Echinococcus multilocularis isocitrate dehydrogenase (NAD) subunit 0.0035 0.0092 0.0138
Echinococcus granulosus microtubule associated protein 2 0.0833 0.666 1
Leishmania major isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0291 0.2196 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0219 0.0767
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2706 1
Trichomonas vaginalis chromobox protein, putative 0.0051 0.0219 0.0767
Echinococcus multilocularis isocitrate dehydrogenase 0.0291 0.2196 0.3297
Schistosoma mansoni tar DNA-binding protein 0.0446 0.3468 0.512
Schistosoma mansoni tar DNA-binding protein 0.0446 0.3468 0.512
Leishmania major hypothetical protein, conserved 0.0053 0.0234 0.1019
Brugia malayi Latrophilin receptor protein 2 0.0392 0.3028 0.3028
Brugia malayi Calcitonin receptor-like protein seb-1 0.1239 1 1
Echinococcus granulosus GPCR family 2 0.0392 0.3028 0.4547
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0088 0.0346
Trypanosoma brucei PAB1-binding protein , putative 0.0053 0.0234 0.1019
Plasmodium falciparum importin beta, putative 0.0035 0.0088 0.0346
Brugia malayi hypothetical protein 0.0053 0.0234 0.0234
Toxoplasma gondii aldehyde dehydrogenase 0.0073 0.0405 0.1798
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2706 1
Treponema pallidum fructose-bisphosphate aldolase 0.0353 0.2706 0.5
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0493 0.1787
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2706 1
Echinococcus multilocularis tar DNA binding protein 0.0446 0.3468 0.5208
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0392 0.3028 0.4547
Echinococcus multilocularis chromobox protein 1 0.0084 0.0493 0.0741
Schistosoma mansoni microtubule-associated protein tau 0.0833 0.666 0.9833
Echinococcus multilocularis geminin 0.0205 0.1485 0.223
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0012 0.0012
Schistosoma mansoni Isocitrate dehydrogenase [NAD] subunit gamma mitochondrial 0.0035 0.0092 0.0136
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0012 0.0018
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0033 0.0098
Schistosoma mansoni ran 0.0026 0.0012 0.0018
Echinococcus granulosus isocitrate dehydrogenase NAD subunit 0.0035 0.0092 0.0138
Trypanosoma cruzi PAB1-binding protein , putative 0.0053 0.0234 0.1019
Brugia malayi Heterochromatin protein 1 0.0084 0.0493 0.0493
Loa Loa (eye worm) hypothetical protein 0.0392 0.3028 0.3028
Entamoeba histolytica hypothetical protein 0.0043 0.0159 0.0544
Loa Loa (eye worm) hypothetical protein 0.0187 0.1339 0.1339
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2706 1
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0051 0.0219 0.1633
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.0256 0.0256
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.0256 0.0384
Brugia malayi isocitrate dehydrogenase [NAD] subunit beta, mitochondrial 0.0035 0.0092 0.0092
Plasmodium vivax importin-beta 2, putative 0.0035 0.0088 0.0346
Echinococcus multilocularis snurportin 1 0.0372 0.286 0.4295
Loa Loa (eye worm) TAR-binding protein 0.0446 0.3468 0.3468
Loa Loa (eye worm) hypothetical protein 0.1239 1 1
Schistosoma mansoni hypothetical protein 0.0205 0.1485 0.2193
Schistosoma mansoni hypothetical protein 0.0392 0.3028 0.4471
Entamoeba histolytica hypothetical protein 0.0043 0.0159 0.0544
Schistosoma mansoni hypothetical protein 0.0392 0.3028 0.4471
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0256 0.0384
Trichomonas vaginalis chromobox protein, putative 0.0084 0.0493 0.1787
Loa Loa (eye worm) hypothetical protein 0.0053 0.0234 0.0234
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.0256 0.0384
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0088 0.0346
Schistosoma mansoni chromobox protein 0.0084 0.0493 0.0729
Echinococcus multilocularis chromobox protein 1 0.0084 0.0493 0.0741
Brugia malayi Probable isocitrate dehydrogenase 0.0035 0.0092 0.0092
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0189 0.0658
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2706 1
Brugia malayi Isocitrate dehydrogenase 0.0291 0.2196 0.2196
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0392 0.3028 0.3028
Brugia malayi Importin beta-1 subunit 0.0035 0.0088 0.0088
Echinococcus multilocularis GPCR, family 2 0.0392 0.3028 0.4547
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0256 0.0377
Schistosoma mansoni importin beta-1 0.0035 0.0088 0.0129
Loa Loa (eye worm) hypothetical protein 0.0047 0.0189 0.0189
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0291 0.2196 0.3242
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0172 0.122 1
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0073 0.0405 0.0607
Echinococcus granulosus geminin 0.0205 0.1485 0.223
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0291 0.2196 0.3297
Brugia malayi chromobox protein homolog 3 0.0047 0.0189 0.0189
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0234 0.1019
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0291 0.2196 0.3297
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.0256 0.0377
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0073 0.0405 0.0607
Schistosoma mansoni hypothetical protein 0.0205 0.1485 0.2193
Toxoplasma gondii isocitrate dehydrogenase 0.0291 0.2196 1
Brugia malayi RNA binding protein 0.0446 0.3468 0.3468
Brugia malayi N-terminal motif family protein 0.0187 0.1339 0.1339
Schistosoma mansoni aldehyde dehydrogenase 0.0073 0.0405 0.0597
Onchocerca volvulus 0.0037 0.0105 0.0787
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0392 0.3028 0.4547
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0073 0.0405 0.1486
Entamoeba histolytica hypothetical protein 0.0043 0.0159 0.0544
Schistosoma mansoni tar DNA-binding protein 0.0446 0.3468 0.512
Trichomonas vaginalis conserved hypothetical protein 0.0033 0.0076 0.0237
Loa Loa (eye worm) hypothetical protein 0.0037 0.0105 0.0105
Trypanosoma cruzi isocitrate dehydrogenase, putative 0.0291 0.2196 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0053 0.0234 0.1019
Trypanosoma cruzi isocitrate dehydrogenase [NADP], mitochondrial precursor, putative 0.0291 0.2196 1
Loa Loa (eye worm) heterochromatin protein 1 0.0084 0.0493 0.0493
Echinococcus granulosus chromobox protein 1 0.0084 0.0493 0.0741
Echinococcus granulosus snurportin 1 0.0372 0.286 0.4295
Echinococcus multilocularis isocitrate dehydrogenase (NAD+) 0.0035 0.0092 0.0138
Trichomonas vaginalis conserved hypothetical protein 0.0047 0.0189 0.0658
Entamoeba histolytica tartrate dehydrogenase, putative 0.0035 0.0092 0.0297
Brugia malayi isocitrate dehydrogenase 0.0291 0.2196 0.2196
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0353 0.2706 1
Echinococcus granulosus isocitrate dehydrogenase NAD 0.0035 0.0092 0.0138
Echinococcus multilocularis microtubule associated protein 2 0.0833 0.666 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) > 100 uM PubChem BioAssay. Dose Response Confirmation of SKN-1 Inhibitor hits in a fluorescence ratio assay. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 0.8913 uM PubChem BioAssay. qHTS of Nrf2 Activators. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 3.1623 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) 4.1475 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) 6.5131 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 (functional) = 11.2202 um PUBCHEM_BIOASSAY: Counterscreen qHTS for Inhibitors of Tau Fibril Formation, Fluorescence Polarization. This assay monitors tau fibrillation by fluorescence polarization (FP) of Alexa 594-labeled K18 P301L, which does not fibrillize readily but incorporates into growing filaments of unlabeled tau. (Class of assay: confirmatory) [Related pubchem assays: 596 ] ChEMBL. No reference
Potency (functional) = 11.2202 um PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 12.5893 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) = 12.5893 um PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 12.5893 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) 14.1254 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) = 17.7407 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) 18.3564 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) 18.526 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) 19.9526 uM PUBCHEM_BIOASSAY: qHTS assay of beta-arrestin-biased ligands of beta2-adrenergic receptor. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID485366, AID485386, AID504448, AID504454, AID504459] ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 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) 22.3872 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 22.3872 um PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 22.3872 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) = 28.1838 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) 28.1838 uM PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 29.0929 uM PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 35.4813 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay; Stimulation with EGF. (Class of assay: confirmatory) [Related pubchem assays: 995 ] ChEMBL. No reference
Potency (functional) = 39.5068 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Glucosidase Cleavage of Glycogen. (Class of assay: confirmatory) [Related pubchem assays: 1473, 1466 ] ChEMBL. No reference
Potency (functional) 39.8107 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 (binding) 39.8107 uM PUBCHEM_BIOASSAY: qHTS Assay for Compounds Blocking the Interaction Between CBF-beta and RUNX1 for the Treatment of Acute Myeloid Leukemia. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1484, AID504370, AID504374, AID504375] 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) 50.1187 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391] ChEMBL. No reference
Potency (functional) 70.7946 uM PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771] ChEMBL. No reference
Potency (functional) 79.4328 uM PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856] ChEMBL. No reference

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.

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