Detailed information for compound 656331

Basic information

Technical information
  • TDR Targets ID: 656331
  • Name: 4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-2 -prop-2-enylsulfanyl-4,5-dihydro-1H-pyridine- 3-carbonitrile
  • MW: 395.271 | Formula: C16H15BrN2O3S
  • H donors: 2 H acceptors: 3 LogP: 2.5 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: C=CCSC1=C(C#N)C(CC(=O)N1)c1cc(Br)c(c(c1)OC)O
  • InChi: 1S/C16H15BrN2O3S/c1-3-4-23-16-11(8-18)10(7-14(20)19-16)9-5-12(17)15(21)13(6-9)22-2/h3,5-6,10,21H,1,4,7H2,2H3,(H,19,20)
  • InChiKey: MEZWCJSURFLCQS-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 2-allylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-oxo-4,5-dihydro-1H-pyridine-3-carbonitrile
  • 2-(allylthio)-4-(3-bromo-4-hydroxy-5-methoxyphenyl)-6-oxo-4,5-dihydro-1H-pyridine-3-carbonitrile
  • 2-(allylthio)-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-keto-4,5-dihydro-1H-pyridine-3-carbonitrile
  • 4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-oxo-2-prop-2-enylsulfanyl-4,5-dihydro-1H-pyridine-3-carbonitrile
  • BAS 02589944
  • SMR000011393
  • STOCK2S-08777
  • MLS000071584
  • 2-Allylsulfanyl-4-(3-bromo-4-hydroxy-5-methoxy-phenyl)-6-oxo-1,4,5,6-tetrahydro-pyridine-3-carbonitrile

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens hydroxyprostaglandin dehydrogenase 15-(NAD) Starlite/ChEMBL No references
Homo sapiens GNAS complex locus Starlite/ChEMBL No references
Homo sapiens synuclein, alpha (non A4 component of amyloid precursor) Starlite/ChEMBL No references
Homo sapiens karyopherin (importin) beta 1 No references
Homo sapiens APEX nuclease (multifunctional DNA repair enzyme) 1 Starlite/ChEMBL No references
Homo sapiens RAN, member RAS oncogene family No references
Homo sapiens survival of motor neuron 2, centromeric 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
Leishmania mexicana 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
Leishmania mexicana apurinic/apyrimidinic endonuclease-redox protein,AP-endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K10771 AP endonuclease 1, putative Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum GTP-binding nuclear protein Ran, related Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans karyopherin-beta Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania mexicana GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus guanine nucleotide binding protein Gs subunit Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva GTP-binding nuclear protein ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Brugia malayi exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Neospora caninum hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Cryptosporidium hominis GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Wolbachia endosymbiont of Brugia malayi exonuclease III Get druggable targets OG5_126768 All targets in OG5_126768
Babesia bovis GTP-binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium yoelii putative AP endonuclease-related Get druggable targets OG5_126768 All targets in OG5_126768
Entamoeba histolytica hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain Get druggable targets OG5_131088 All targets in OG5_131088
Leishmania major importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
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
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni hypothetical protein Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei gambiense importin beta-1 subunit, 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
Trypanosoma brucei gambiense apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis Importin beta-1 subunit, putative 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
Cryptosporidium parvum conserved hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus granulosus GTP binding nuclear protein Ran Get druggable targets OG5_127514 All targets in OG5_127514
Theileria parva hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ran 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
Leishmania infantum apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Giardia lamblia GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma japonicum ko:K07936 GTP-binding nuclear protein Ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 Get druggable targets OG5_127514 All targets in OG5_127514
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Leishmania donovani apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium yoelii GTP-binding nuclear protein ran/tc4 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
Neospora caninum hypothetical protein Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis GTP binding nuclear protein Ran 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
Cryptosporidium hominis importin-beta2 Get druggable targets OG5_127843 All targets in OG5_127843
Toxoplasma gondii exonuclease III APE Get druggable targets OG5_126768 All targets in OG5_126768
Leishmania braziliensis importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Treponema pallidum exodeoxyribonuclease (exoA) Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Snurportin-1, putative Get druggable targets OG5_131808 All targets in OG5_131808
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase Get druggable targets OG5_126768 All targets in OG5_126768
Trichomonas vaginalis importin beta-1, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma cruzi apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma congolense importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum Importin subunit beta-1, 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
Plasmodium yoelii importin beta-1 subunit Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma japonicum ko:K10772 AP endonuclease 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Schistosoma mansoni ran 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
Leishmania donovani GTP-binding protein, putative Get druggable targets OG5_127514 All targets in OG5_127514
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit Get druggable targets OG5_131088 All targets in OG5_131088
Schistosoma japonicum Importin subunit beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Loa Loa (eye worm) exodeoxyribonuclease III family protein Get druggable targets OG5_126768 All targets in OG5_126768
Cryptosporidium parvum importin/karyopherin 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
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative Get druggable targets OG5_131088 All targets in OG5_131088
Theileria parva importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Echinococcus granulosus snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania braziliensis apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium knowlesi AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium vivax importin-beta 2, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trypanosoma brucei gambiense GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei 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
Echinococcus granulosus survival motor neuron protein 1 Get druggable targets OG5_132873 All targets in OG5_132873
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative Get druggable targets OG5_127514 All targets in OG5_127514
Trypanosoma congolense GTP-binding nuclear protein rtb2, 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
Plasmodium knowlesi importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Trichomonas vaginalis ran, putative Get druggable targets OG5_127514 All targets in OG5_127514
Cryptosporidium hominis dna-(apurinic or apyrimidinic site) lyase Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) hypothetical protein Get druggable targets OG5_127843 All targets in OG5_127843
Schistosoma mansoni ap endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei importin beta, putative Get druggable targets OG5_127843 All targets in OG5_127843
Candida albicans similar to S. cerevisiae APN2 (YBL019W) DNA repair apurinic/apyrimidinic endonuclease Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Plasmodium berghei AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Ran, Ras family GTP-binding protein 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 RNA, U transporter 1 Get druggable targets OG5_131808 All targets in OG5_131808
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Brugia malayi hypothetical protein Get druggable targets OG5_132873 All targets in OG5_132873
Plasmodium knowlesi GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
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 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
Trichomonas vaginalis ap endonuclease, putative Get druggable targets OG5_126768 All targets in OG5_126768
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 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
Schistosoma japonicum DNA-(apurinic or apyrimidinic site) lyase 2, putative Get druggable targets OG5_126768 All targets in OG5_126768
Trypanosoma brucei importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Leishmania major apurinic/apyrimidinic endonuclease-redox protein Get druggable targets OG5_126768 All targets in OG5_126768
Candida albicans Ran, Ras family GTP-binding protein 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
Schistosoma mansoni importin beta-1 Get druggable targets OG5_127843 All targets in OG5_127843
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica Ran family GTPase 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 snurportin 1 Get druggable targets OG5_131808 All targets in OG5_131808
Leishmania infantum importin beta-1 subunit, putative Get druggable targets OG5_127843 All targets in OG5_127843
Giardia lamblia Endonuclease/Exonuclease/phosphatase Get druggable targets OG5_126768 All targets in OG5_126768
Plasmodium berghei GTP-binding nuclear protein RAN/TC4, putative Get druggable targets OG5_127514 All targets in OG5_127514
Entamoeba histolytica exodeoxyribonuclease III, putative Get druggable targets OG5_126768 All targets in OG5_126768
Echinococcus multilocularis importin subunit beta 1 Get druggable targets OG5_127843 All targets in OG5_127843
By sequence similarity to non orthologous known druggable targets
Species Potential target Known druggable target Length Alignment span Identity
Schistosoma mansoni GTP-binding protein alpha subunit gna GNAS complex locus 394 aa 450 aa 28.7 %
Plasmodium falciparum steroid dehydrogenase, putative hydroxyprostaglandin dehydrogenase 15-(NAD) 266 aa 216 aa 22.2 %
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0023 0.0325 0.8316
Plasmodium falciparum macrophage migration inhibitory factor 0.0196 0.423 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0391 0.0626
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0391 0.0924
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0055 0.1057 0.1694
Schistosoma mansoni ap endonuclease 0.0023 0.0325 0.0397
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0023 0.0325 0.5
Schistosoma mansoni importin beta-1 0.0035 0.0598 0.0731
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1057 0.1057
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0222 0.5666
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0023 0.0325 0.7233
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0084 0.1698 0.2075
Giardia lamblia Macrophage migration inhibitory factor 0.0196 0.423 1
Toxoplasma gondii exonuclease III APE 0.0023 0.0325 0.0769
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1057 0.1292
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0026 0.0391 0.0626
Trichomonas vaginalis conserved hypothetical protein 0.0196 0.423 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0245 0.03
Schistosoma mansoni ran 0.0026 0.0391 0.0478
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0325 0.0769
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0391 1
Toxoplasma gondii HEAT repeat-containing protein 0.0035 0.0598 0.1413
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0391 0.0626
Plasmodium vivax acyl-CoA synthetase, putative 0.0019 0.0245 0.0579
Leishmania major importin beta-1 subunit, putative 0.0028 0.0449 0.1063
Loa Loa (eye worm) hypothetical protein 0.0026 0.0391 0.0478
Entamoeba histolytica hypothetical protein 0.0028 0.0449 0.1063
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0026 0.0391 0.6537
Brugia malayi hypothetical protein 0.0086 0.1755 0.2811
Schistosoma mansoni hypothetical protein 0.0372 0.8183 1
Loa Loa (eye worm) hypothetical protein 0.0026 0.0391 0.0478
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0019 0.0245 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0196 0.423 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0245 0.03
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0391 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1057 0.1292
Leishmania major GTP-binding protein, putative 0.0026 0.0391 0.0924
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0449 0.1063
Plasmodium vivax importin-beta 2, putative 0.0035 0.0598 0.1413
Trichomonas vaginalis ran, putative 0.0026 0.0391 0.0924
Echinococcus granulosus neuropeptide receptor A26 0.0452 1 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0245 0.03
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0023 0.0325 0.7233
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0222 0.5666
Echinococcus multilocularis neuropeptide s receptor 0.0452 1 1
Echinococcus granulosus snurportin 1 0.0372 0.8183 0.8183
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0391 1
Trypanosoma cruzi importin beta-1 subunit, putative 0.0028 0.0449 1
Plasmodium falciparum acyl-CoA synthetase 0.0019 0.0245 0.0579
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0325 0.0769
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0026 0.0391 1
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0026 0.0391 0.0924
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0023 0.0325 0.5439
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0026 0.0391 0.0478
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1057 0.1057
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0055 0.1057 0.1057
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0026 0.0391 1
Loa Loa (eye worm) hypothetical protein 0.0019 0.0245 0.03
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0391 0.0924
Loa Loa (eye worm) hypothetical protein 0.0035 0.0598 0.0731
Plasmodium vivax macrophage migration inhibitory factor, putative 0.0196 0.423 1
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0026 0.0391 1
Mycobacterium ulcerans acyl-CoA synthetase 0.0026 0.0391 1
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0019 0.0245 0.6268
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0372 0.8183 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1755 0.2145
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0055 0.1057 0.1292
Schistosoma mansoni ap endonuclease 0.0023 0.0325 0.0397
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0026 0.0391 1
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0026 0.0391 1
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0023 0.0325 0.0397
Trichomonas vaginalis ap endonuclease, putative 0.0023 0.0325 0.0769
Brugia malayi RNA, U transporter 1 0.0099 0.2043 0.3273
Echinococcus granulosus importin subunit beta 1 0.0035 0.0598 0.0598
Entamoeba histolytica macrophage migration inhibitory factor-like protein 0.0196 0.423 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0028 0.0449 0.1063
Echinococcus multilocularis snurportin 1 0.0372 0.8183 0.8183
Schistosoma mansoni eyes absent homolog 0.0086 0.1755 0.2145
Echinococcus multilocularis importin subunit beta 1 0.0035 0.0598 0.0598
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0023 0.0325 0.0325
Echinococcus granulosus survival motor neuron protein 1 0.0286 0.6243 0.6243
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0598 1
Schistosoma mansoni ran 0.0026 0.0391 0.0478
Trichomonas vaginalis importin beta-1, putative 0.0028 0.0449 0.1063
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0391 0.0924
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0391 0.8694
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0023 0.0325 0.8316
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0026 0.0391 0.0924
Onchocerca volvulus 0.0058 0.1125 1
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0019 0.0245 0.6268
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0023 0.0325 0.0769
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0023 0.0325 0.0769
Mycobacterium ulcerans hypothetical protein 0.0026 0.0391 1
Onchocerca volvulus 0.0012 0.0088 0.0785
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0026 0.0391 0.8694
Trichomonas vaginalis macrophage migration inhibitory factor, mif, putative 0.0196 0.423 1
Entamoeba histolytica acyl-CoA synthetase, putative 0.0026 0.0391 0.0924
Echinococcus multilocularis neuropeptide receptor A26 0.0452 1 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0222 0.5666
Leishmania major 4-coumarate:coa ligase-like protein 0.0026 0.0391 0.0924
Loa Loa (eye worm) hypothetical protein 0.0026 0.0391 0.0478
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0026 0.0391 0.0924
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0023 0.0325 0.0769
Brugia malayi Importin beta-1 subunit 0.0035 0.0598 0.0958
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0026 0.0391 0.0391
Brugia malayi hypothetical protein 0.0286 0.6243 1
Brugia malayi Bm-MIF-1, identical 0.0196 0.423 0.6776
Treponema pallidum exodeoxyribonuclease (exoA) 0.0023 0.0325 1
Brugia malayi AMP-binding enzyme family protein 0.0026 0.0391 0.0626
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0023 0.0325 0.0325
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0026 0.0391 1
Loa Loa (eye worm) hypothetical protein 0.0086 0.1755 0.2145
Mycobacterium leprae PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE) 0.0026 0.0391 1
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0018 0.0222 0.5666
Trypanosoma brucei importin beta-1 subunit, putative 0.0035 0.0598 1
Leishmania major macrophage migration inhibitory factor-like protein 0.0196 0.423 1
Schistosoma mansoni hypothetical protein 0.0058 0.1125 0.1375
Plasmodium falciparum importin beta, putative 0.0035 0.0598 0.1413
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0058 0.1125 0.1802
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0055 0.1057 0.1057
Entamoeba histolytica Ran family GTPase 0.0026 0.0391 0.0924
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0055 0.1057 0.1292
Schistosoma mansoni survival motor neuron protein 0.0058 0.1125 0.1375
Echinococcus granulosus GTP binding nuclear protein Ran 0.0026 0.0391 0.0391
Loa Loa (eye worm) macrophage migration inhibitory factor 0.0196 0.423 0.517
Loa Loa (eye worm) macrophage migration inhibitory factor 2 0.0084 0.1698 0.2075
Toxoplasma gondii macrophage migration inhibitory factor, putative 0.0196 0.423 1
Loa Loa (eye worm) hypothetical protein 0.0286 0.6243 0.7629
Loa Loa (eye worm) hypothetical protein 0.0019 0.0245 0.03
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0023 0.0325 0.0769
Onchocerca volvulus 0.0026 0.0391 0.3475
Brugia malayi exodeoxyribonuclease III family protein 0.0023 0.0325 0.0521
Entamoeba histolytica acyl-coA synthetase, putative 0.0026 0.0391 0.0924
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0026 0.0391 0.0924
Echinococcus multilocularis survival motor neuron protein 1 0.0286 0.6243 0.6243

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 0.3548 uM PubChem BioAssay. qHTS Assay for Inhibitors of the Human Apurinic/apyrimidinic Endonuclease 1 (APE1). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 3.9811 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) = 6.3096 um PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory) 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) 8.1961 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249] ChEMBL. No reference
Potency (functional) 12.5893 uM PubChem BioAssay. qHTS of alpha-syn Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) = 17.7828 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))] ChEMBL. No reference
Potency (functional) 18.526 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) = 25.1189 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) = 25.1189 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Bacillus subtilis Sfp phosphopantetheinyl transferase (PPTase). (Class of assay: confirmatory) ChEMBL. No reference
Potency (binding) = 31.6228 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) = 31.6228 um PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HADH2 (Hydroxyacyl-Coenzyme A Dehydrogenase, Type II). (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 31.6228 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference
Potency (functional) 39.8107 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
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

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23
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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