Detailed information for compound 1537288

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 675.836 | Formula: C40H41N3O5S
  • H donors: 2 H acceptors: 4 LogP: 6.43 Rotable bonds: 13
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCC[C@@H]1N(Cc2c1c(nc(c2)C(=O)NCc1ccc(cc1)Oc1ccccc1)c1cccc(c1)c1cccc(c1)OC)S(=O)C(C)(C)C
  • InChi: 1S/C40H41N3O5S/c1-40(2,3)49(46)43-26-31-24-35(39(45)41-25-27-16-18-33(19-17-27)48-32-13-6-5-7-14-32)42-38(37(31)36(43)20-21-44)30-12-8-10-28(22-30)29-11-9-15-34(23-29)47-4/h5-19,22-24,36,44H,20-21,25-26H2,1-4H3,(H,41,45)/t36-,49?/m0/s1
  • InChiKey: AHRQYPJAGHNBHY-PJERPHQUSA-N  


Substructure search Similarity search

Network

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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
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
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0064 0.0583 1
Loa Loa (eye worm) hypothetical protein 0.0064 0.0583 0.1672
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0022 0.0116 0.0435
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0214 0.2255 0.4461
Schistosoma mansoni protein kinase 0.0066 0.0598 0.1718
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0203 0.0894
Echinococcus multilocularis calcium dependent protein kinase 0.0062 0.0553 0.1094
Echinococcus multilocularis General substrate transporter 0.0184 0.1919 0.3797
Echinococcus multilocularis solute carrier family 22 0.003 0.0203 0.0402
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0228 0.045
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0041 0.032 1
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0608 0.8651
Schistosoma mansoni sugar transporter 0.003 0.0203 0.0583
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2255 0.4461
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Schistosoma mansoni survival motor neuron protein 0.0051 0.0434 0.1245
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0066 0.0599 0.0597
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0228 0.045
Trichomonas vaginalis ran, putative 0.0022 0.0116 0.051
Echinococcus multilocularis neuropeptide s receptor 0.0466 0.5054 1
Echinococcus multilocularis geminin 0.0179 0.1857 0.3674
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0075 0.0702 0.106
Plasmodium falciparum calcium-dependent protein kinase 2 0.0066 0.0599 0.0597
Echinococcus multilocularis solute carrier family 22 0.003 0.0203 0.0402
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Brugia malayi hypothetical protein 0.0249 0.2644 1
Echinococcus multilocularis Threonyl tRNA synthetase, C 0.0012 0.0002 0.0003
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0048 0.04 0.6849
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0022 0.0116 0.0115
Brugia malayi Sugar transporter family protein 0.003 0.0203 0.0762
Echinococcus multilocularis solute carrier family 22 0.003 0.0203 0.0402
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0066 0.0598 0.1184
Schistosoma mansoni hypothetical protein 0.0179 0.1857 0.5333
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.04 1
Giardia lamblia Sugar-proton symporter 0.003 0.0203 0.346
Trichomonas vaginalis sugar transport protein, putative 0.003 0.0203 0.0894
Plasmodium falciparum protein kinase 7 0.0606 0.6612 0.6612
Brugia malayi hypothetical protein 0.0017 0.0058 0.0215
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0066 0.0599 0.0903
Chlamydia trachomatis glutamine binding protein 0.0019 0.0079 0.1953
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0142 0.0622
Echinococcus multilocularis glycyl tRNA synthetase 0.0012 0.0002 0.0003
Echinococcus granulosus GPCR family 2 0.0032 0.0228 0.045
Echinococcus granulosus solute carrier family 22 0.003 0.0203 0.0402
Schistosoma mansoni serine/threonine protein kinase 0.0066 0.0598 0.1718
Treponema pallidum amino acid ABC transporter, periplasmic binding protein 0.0019 0.0079 0.6559
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0064 0.0583 0.9752
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0048 0.04 0.5689
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0163 0.2308
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0064 0.0583 0.1155
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0048 0.04 0.1769
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2255 0.4461
Trypanosoma brucei PAB1-binding protein , putative 0.0027 0.0163 0.2308
Echinococcus multilocularis solute carrier family 22 0.003 0.0203 0.0402
Trichomonas vaginalis conserved hypothetical protein 0.0214 0.2255 1
Echinococcus multilocularis neuropeptide receptor A26 0.0466 0.5054 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0066 0.0599 0.0597
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0066 0.0598 0.1715
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Echinococcus granulosus Sugar transporter ERD6 protein 0.003 0.0203 0.0402
Trypanosoma cruzi hexose transporter, putative 0.0036 0.0272 0.386
Brugia malayi lysyl-tRNA synthetase 0.0048 0.04 0.1508
Chlamydia trachomatis proline--tRNA ligase 0.0023 0.012 0.2978
Schistosoma mansoni glucose transport protein 0.0214 0.2255 0.6476
Brugia malayi major facilitator superfamily protein 0.003 0.0203 0.0762
Plasmodium falciparum mitogen-activated protein kinase 2 0.0346 0.3725 0.3724
Trypanosoma brucei glucose transporter, putative 0.0066 0.0608 0.8651
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Loa Loa (eye worm) hypothetical protein 0.0048 0.04 0.1145
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Plasmodium vivax proline--tRNA ligase, putative 0.0075 0.0702 0.0701
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0228 0.0649
Trichomonas vaginalis myo-inositol transporter, putative 0.003 0.0203 0.0894
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0075 0.0702 1
Giardia lamblia Lysyl-tRNA synthetase 0.0048 0.04 0.6849
Treponema pallidum prolyl-tRNA synthetase 0.0023 0.012 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0608 0.269
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0019 0.0079 0.1953
Trypanosoma cruzi hexose transporter, putative 0.003 0.0203 0.2874
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0608 0.8651
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0608 0.269
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0203 0.0579
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0203 0.0894
Echinococcus multilocularis GPCR, family 2 0.0032 0.0228 0.045
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0064 0.0583 0.2583
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0608 0.8651
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0066 0.0598 0.1715
Echinococcus multilocularis synaptic vesicle 2 protein 0.003 0.0203 0.0402
Trypanosoma brucei sugar transporter, putative 0.003 0.0203 0.2874
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0608 0.269
Leishmania major glucose transporter, lmgt1 0.0066 0.0608 0.8651
Leishmania major glucose transporter, lmgt2 0.0066 0.0608 0.8651
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0206 0.2916
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0214 0.2255 0.4461
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Leishmania major glucose transporter, lmgt3 0.0066 0.0608 0.8651
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Schistosoma mansoni hypothetical protein 0.0032 0.0228 0.0654
Trypanosoma brucei glucose transporter 1E 0.0066 0.0608 0.8651
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Toxoplasma gondii sugar transporter ST2 0.003 0.0203 0.0305
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Brugia malayi Sugar transporter family protein 0.0214 0.2255 0.8527
Onchocerca volvulus 0.0051 0.0434 1
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0025 0.0142 0.0622
Mycobacterium leprae Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0041 0.032 0.5469
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.04 0.1149
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Mycobacterium tuberculosis Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter) 0.003 0.0203 0.6328
Entamoeba histolytica Ran family GTPase 0.0022 0.0116 0.1925
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0048 0.04 1
Echinococcus granulosus neuropeptide s receptor 0.0466 0.5054 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Trypanosoma cruzi hexose transporter 0.0066 0.0608 0.8651
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0203 0.0762
Schistosoma mansoni glycyl-tRNA synthetase 0.0012 0.0002 0.0004
Plasmodium vivax calcium-dependent protein kinase, putative 0.0066 0.0599 0.0597
Toxoplasma gondii sugar transporter ST3 0.003 0.0203 0.0305
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0646 0.2438
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0228 0.0855
Trypanosoma brucei glucose transporter 2A 0.0066 0.0608 0.8651
Trypanosoma cruzi PAB1-binding protein , putative 0.0027 0.0163 0.2308
Loa Loa (eye worm) hypothetical protein 0.0027 0.0163 0.0465
Trypanosoma brucei importin beta-1 subunit, putative 0.003 0.0206 0.2916
Trypanosoma cruzi importin beta-1 subunit, putative 0.0025 0.0142 0.2002
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Echinococcus granulosus survival motor neuron protein 1 0.0249 0.2644 0.5231
Trichomonas vaginalis importin beta-1, putative 0.0025 0.0142 0.0622
Mycobacterium ulcerans sugar transporter 0.003 0.0203 0.5052
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2255 0.4461
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.003 0.0203 0.0201
Schistosoma mansoni hypothetical protein 0.0032 0.0228 0.0654
Plasmodium vivax CDK-related protein kinase 6, putative 0.091 1 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Schistosoma mansoni hypothetical protein 0.0325 0.3482 1
Brugia malayi Importin beta-1 subunit 0.003 0.0206 0.0773
Schistosoma mansoni glucose transport protein 0.0214 0.2255 0.6476
Schistosoma mansoni hypothetical protein 0.007 0.0646 0.1855
Toxoplasma gondii transporter, major facilitator family protein 0.003 0.0203 0.0305
Echinococcus granulosus synaptic vesicle 2 protein 0.003 0.0203 0.0402
Leishmania major hypothetical protein, conserved 0.003 0.0203 0.2874
Plasmodium vivax sugar transporter, putative 0.003 0.0203 0.0201
Toxoplasma gondii HEAT repeat-containing protein 0.003 0.0206 0.0309
Echinococcus granulosus glycyl tRNA synthetase 0.0012 0.0002 0.0003
Echinococcus multilocularis snurportin 1 0.0325 0.3482 0.6889
Giardia lamblia Prolyl-tRNA synthetase 0.0064 0.0583 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0598 0.1184
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0066 0.0598 0.2258
Trypanosoma brucei glucose transporter, putative 0.0066 0.0608 0.8651
Plasmodium falciparum calcium-dependent protein kinase 3 0.0066 0.0599 0.0597
Schistosoma mansoni protein kinase 0.0066 0.0598 0.1718
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0214 0.2255 0.4461
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0026 0.0161 0.0459
Trypanosoma brucei glucose transporter, putative 0.0066 0.0608 0.8651
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0608 0.8651
Plasmodium falciparum calcium-dependent protein kinase 1 0.0066 0.0599 0.0597
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0022 0.0116 0.0174
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0066 0.0599 0.0903
Plasmodium vivax hexose transporter 0.0214 0.2255 0.2253
Leishmania major glucose transporter/membrane transporter D2, putative 0.0066 0.0608 0.8651
Trypanosoma cruzi hexose transporter, putative 0.0066 0.0608 0.8651
Chlamydia trachomatis arginine ABC transporter substrate-binding protein ArtJ 0.0019 0.0079 0.1953
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0019 0.0079 0.2446
Schistosoma mansoni hypothetical protein 0.0214 0.2255 0.6476
Echinococcus multilocularis importin subunit beta 1 0.003 0.0206 0.0407
Echinococcus multilocularis lysyl tRNA synthetase 0.0048 0.04 0.0792
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Trichomonas vaginalis glucose transporter, putative 0.0066 0.0608 0.269
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0064 0.0583 0.1676
Plasmodium vivax importin-beta 2, putative 0.003 0.0206 0.0204
Wolbachia endosymbiont of Brugia malayi major facilitator superfamily permease 0.003 0.0203 1
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0116 0.164
Schistosoma mansoni sugar transporter 0.003 0.0203 0.0583
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0022 0.0116 0.023
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0214 0.2255 0.4461
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0026 0.0162 0.0321
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0214 0.2255 0.4461
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Entamoeba histolytica hypothetical protein 0.0025 0.0142 0.235
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0075 0.0702 1
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0042 0.0334 0.1477
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0608 0.269
Echinococcus granulosus neuropeptide receptor A26 0.0466 0.5054 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.1006 0.3801
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0598 0.1184
Schistosoma mansoni sugar transporter 0.003 0.0203 0.0583
Giardia lamblia Hexose transporter 0.003 0.0203 0.346
Loa Loa (eye worm) hypothetical protein 0.0032 0.0228 0.0649
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Schistosoma mansoni protein kinase 0.0066 0.0598 0.1718
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.003 0.0203 0.2874
Leishmania major lysyl-tRNA synthetase, putative 0.0048 0.04 0.5689
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0048 0.04 0.5689
Mycobacterium ulcerans integral membrane transport protein 0.003 0.0203 0.5052
Loa Loa (eye worm) hypothetical protein 0.003 0.0206 0.0587
Trichomonas vaginalis sugar transporter, putative 0.0066 0.0608 0.269
Trypanosoma brucei glucose transporter, putative 0.0066 0.0608 0.8651
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0066 0.0598 0.1184
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0325 0.3482 1
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0022 0.0116 0.0115
Entamoeba histolytica protein kinase, putative 0.0066 0.0598 1
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0598 0.1184
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0203 0.0894
Plasmodium falciparum lysine--tRNA ligase 0.0048 0.04 0.0399
Echinococcus multilocularis survival motor neuron protein 1 0.0249 0.2644 0.5231
Echinococcus granulosus lysyl tRNA synthetase 0.0048 0.04 0.0792
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0064 0.0583 0.2202
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Trypanosoma brucei glucose transporter, putative 0.0066 0.0608 0.8651
Echinococcus granulosus solute carrier family 22 0.003 0.0203 0.0402
Echinococcus granulosus GTP binding nuclear protein Ran 0.0022 0.0116 0.023
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0051 0.0434 0.1635
Toxoplasma gondii facilitative glucose transporter GT1 0.0214 0.2255 0.3408
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Brugia malayi hypothetical protein 0.003 0.0203 0.0762
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0203 0.0762
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0066 0.0599 0.0903
Echinococcus granulosus snurportin 1 0.0325 0.3482 0.6889
Loa Loa (eye worm) hypothetical protein 0.0066 0.0598 0.1715
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Brugia malayi major facilitator superfamily protein 0.003 0.0203 0.0762
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0022 0.0116 0.164
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0346 0.3725 0.3724
Toxoplasma gondii protein kinase, putative 0.0606 0.6612 1
Brugia malayi RNA, U transporter 1 0.0086 0.083 0.3136
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.0702 1
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0022 0.0116 0.164
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.1006 0.2886
Treponema pallidum amino acid ABC transporter, periplasmic binding protein (hisJ) 0.0019 0.0079 0.6559
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.003 0.0203 0.0583
Echinococcus granulosus Threonyl tRNA synthetase C 0.0012 0.0002 0.0003
Toxoplasma gondii LsmAD domain-containing protein 0.0027 0.0163 0.0245
Schistosoma mansoni hypothetical protein 0.0179 0.1857 0.5333
Trypanosoma brucei glucose transporter, putative 0.0066 0.0608 0.8651
Loa Loa (eye worm) sugar transporter 0.0214 0.2255 0.6474
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0346 0.3725 0.5632
Echinococcus granulosus nmda type glutamate receptor 0.0026 0.0162 0.0321
Schistosoma mansoni glucose transporter 0.003 0.0203 0.0583
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Echinococcus granulosus General substrate transporter 0.0184 0.1919 0.3797
Mycobacterium tuberculosis Probable conserved integral membrane transport protein 0.003 0.0203 0.6328
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0066 0.0598 0.1184
Schistosoma mansoni sugar transporter 0.003 0.0203 0.0583
Toxoplasma gondii sugar transporter ST1 0.003 0.0203 0.0305
Entamoeba histolytica protein kinase, putative 0.0066 0.0598 1
Schistosoma mansoni ran 0.0022 0.0116 0.0334
Mycobacterium ulcerans prolyl-tRNA synthetase 0.0023 0.012 0.2978
Plasmodium vivax lysine--tRNA ligase, putative 0.0048 0.04 0.0399
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.1006 0.3801
Schistosoma mansoni hypothetical protein 0.0032 0.0228 0.0654
Loa Loa (eye worm) sugar transporter 0.003 0.0203 0.0579
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0041 0.032 1
Loa Loa (eye worm) hypothetical protein 0.0249 0.2644 0.7593
Plasmodium falciparum calcium-dependent protein kinase 5 0.0066 0.0599 0.0597
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0066 0.0599 0.0597
Leishmania major hypothetical protein, conserved 0.0027 0.0163 0.2308
Trypanosoma brucei THT1 - hexose transporter, putative 0.0066 0.0608 0.8651
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0163 0.0162
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Chlamydia trachomatis lysine--tRNA ligase 0.0048 0.04 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Schistosoma mansoni lysyl-tRNA synthetase 0.0048 0.04 0.1149
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Leishmania major protein kinase, putative 0.0066 0.0598 0.8517
Loa Loa (eye worm) major facilitator superfamily transporter 0.003 0.0203 0.0579
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Trypanosoma brucei glucose transporter, putative 0.0066 0.0608 0.8651
Trichomonas vaginalis conserved hypothetical protein 0.0066 0.0608 0.269
Entamoeba histolytica hypothetical protein 0.0048 0.04 0.6679
Schistosoma mansoni hypothetical protein 0.0051 0.0434 0.1245
Leishmania major importin beta-1 subunit, putative 0.0025 0.0142 0.2002
Plasmodium falciparum ataxin-2 like protein, putative 0.0027 0.0163 0.0162
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Plasmodium falciparum calcium-dependent protein kinase 4 0.0066 0.0599 0.0597
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.003 0.0203 0.5052
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0022 0.0116 0.1974
Echinococcus granulosus calcium dependent protein kinase 0.0062 0.0553 0.1094
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0064 0.0583 0.2202
Brugia malayi hypothetical protein 0.003 0.0203 0.0762
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0064 0.0583 0.1155
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0228 0.045
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0203 0.0894
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.0702 1
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Echinococcus granulosus solute carrier family 22 0.003 0.0203 0.0402
Loa Loa (eye worm) hypothetical protein 0.003 0.0203 0.0579
Schistosoma mansoni hypothetical protein 0.0032 0.0228 0.0654
Loa Loa (eye worm) hypothetical protein 0.007 0.0646 0.1851
Trichomonas vaginalis glucose transporter, putative 0.003 0.0203 0.0894
Plasmodium vivax ataxin-2 like protein, putative 0.0027 0.0163 0.0162
Leishmania major myo-inositol/proton symporter (MIT) 0.003 0.0203 0.2874
Echinococcus granulosus solute carrier family 22 0.003 0.0203 0.0402
Loa Loa (eye worm) hypothetical protein 0.0102 0.1006 0.2886
Schistosoma mansoni glucose transport protein 0.0214 0.2255 0.6476
Brugia malayi hypothetical protein 0.003 0.0203 0.0762
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0075 0.0702 1
Trichomonas vaginalis CAMK family protein kinase 0.0066 0.0598 0.2648
Brugia malayi hypothetical protein 0.0027 0.0163 0.0612
Plasmodium falciparum proline--tRNA ligase 0.0075 0.0702 0.0701
Echinococcus multilocularis Sugar transporter ERD6 protein 0.003 0.0203 0.0402
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0228 0.0855
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0228 0.045
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0022 0.0116 0.033
Schistosoma mansoni importin beta-1 0.003 0.0206 0.0591
Toxoplasma gondii lysine-tRNA ligase 0.0048 0.04 0.0603
Loa Loa (eye worm) hypothetical protein 0.0052 0.0449 0.1286
Trypanosoma cruzi glucose transporter, putative 0.003 0.0203 0.2874
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0066 0.0598 0.1184
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0066 0.0598 0.8517
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0066 0.0598 0.1184
Trypanosoma brucei glucose transporter, putative 0.0066 0.0608 0.8651
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Schistosoma mansoni ran 0.0022 0.0116 0.0334
Brugia malayi Major Facilitator Superfamily protein 0.003 0.0203 0.0762
Echinococcus granulosus geminin 0.0179 0.1857 0.3674
Brugia malayi Cam kinase protein 1 0.0066 0.0598 0.2258
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Trichomonas vaginalis sugar transporter, putative 0.003 0.0203 0.0894
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0203 0.0894
Plasmodium falciparum importin beta, putative 0.003 0.0206 0.0204
Echinococcus granulosus importin subunit beta 1 0.003 0.0206 0.0407
Plasmodium falciparum hexose transporter 0.0214 0.2255 0.2253
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.003 0.0203 0.5052
Echinococcus multilocularis nmda type glutamate receptor 0.0026 0.0162 0.0321
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0064 0.0583 0.1676
Trypanosoma cruzi sugar transporter, putative 0.003 0.0203 0.2874
Leishmania major GTP-binding protein, putative 0.0022 0.0116 0.164
Brugia malayi Sugar transporter family protein 0.003 0.0203 0.0762
Loa Loa (eye worm) hypothetical protein 0.0064 0.0583 0.1672

Activities

Activity type Activity value Assay description Source 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 for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860] ChEMBL. No reference
Potency (functional) 23.1093 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) 35.4813 uM PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory) ChEMBL. No reference
Potency (functional) 39.8107 uM PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory) ChEMBL. No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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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