Detailed information for compound 210891

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 645.785 | Formula: C37H47N3O7
  • H donors: 3 H acceptors: 3 LogP: 5.69 Rotable bonds: 17
    Rule of 5 violations (Lipinski): 2
  • SMILES: O=C(N[C@@H](Cc1ccccc1)C[C@@H]([C@H](Cc1ccccc1)NC(=O)O[C@H]1COC2C1CCO2)O)COc1c(C)cc(cc1C)N(C)C
  • InChi: 1S/C37H47N3O7/c1-24-17-29(40(3)4)18-25(2)35(24)45-23-34(42)38-28(19-26-11-7-5-8-12-26)21-32(41)31(20-27-13-9-6-10-14-27)39-37(43)47-33-22-46-36-30(33)15-16-44-36/h5-14,17-18,28,30-33,36,41H,15-16,19-23H2,1-4H3,(H,38,42)(H,39,43)/t28-,30?,31-,32-,33-,36?/m0/s1
  • InChiKey: SQKRZWTZLGTQDP-SXKDMCPQSA-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
Entamoeba histolytica hypothetical protein 0.0025 0.023 0.023
Trichomonas vaginalis CAMK family protein kinase 0.0035 0.0354 0.03
Toxoplasma gondii sugar transporter ST3 0.0016 0.0106 0.0181
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0224 0.0745
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0106 0.0051
Schistosoma mansoni sugar transporter 0.0016 0.0106 0.0451
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0022 0.0189 0.0134
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0015 0.0102 0.073
Trypanosoma brucei glucose transporter, putative 0.0035 0.036 0.1195
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0106 0.0106
Plasmodium vivax mitogen-activated protein kinase 2, putative 0.0182 0.2313 0.3704
Leishmania major protein kinase, putative 0.0035 0.0354 0.1176
Plasmodium falciparum major facilitator superfamily domain-containing protein, putative 0.0016 0.0106 0.017
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Trypanosoma cruzi hexose transporter, putative 0.0019 0.015 0.0497
Brugia malayi Latrophilin receptor protein 2 0.0015 0.0102 0.0101
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0419 0.1392
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0761 1 1
Toxoplasma gondii facilitative glucose transporter GT1 0.0113 0.1392 0.3324
Echinococcus multilocularis lysyl tRNA synthetase 0.0025 0.023 0.1652
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0043 0.0312
Schistosoma mansoni glucose transport protein 0.0113 0.1392 0.5904
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0224 0.0359
Trypanosoma brucei calcium/calmodulin-dependent protein kinase, putative 0.0035 0.0354 0.1176
Loa Loa (eye worm) hypothetical protein 0.0027 0.0261 0.0261
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0354 0.2544
Echinococcus multilocularis choline:ethanolamine kinase 0.0041 0.0446 0.3203
Loa Loa (eye worm) hypothetical protein 0.0034 0.0345 0.0345
Mycobacterium tuberculosis Lysyl-tRNA synthetase 2 LysX 0.0021 0.018 0.0108
Loa Loa (eye worm) phosphotyrosine protein phosphatase 0.0761 1 1
Echinococcus granulosus General substrate transporter 0.0097 0.1182 0.8489
Echinococcus granulosus lysyl tRNA synthetase 0.0025 0.023 0.1652
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Brugia malayi Calcium/calmodulin-dependent protein kinase type II alpha chain 0.0035 0.0354 0.0354
Trypanosoma brucei sugar transporter, putative 0.0016 0.0106 0.0353
Echinococcus multilocularis solute carrier family 22 0.0016 0.0106 0.0765
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Trypanosoma cruzi hexose transporter, putative 0.0035 0.036 0.1195
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0106 0.0106
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0235 0.3011 0.2972
Leishmania major glucose transporter, lmgt2 0.0035 0.036 0.1195
Plasmodium falciparum calcium-dependent protein kinase 2 0.0035 0.0354 0.0567
Schistosoma mansoni sugar transporter 0.0016 0.0106 0.0451
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.036 0.0306
Loa Loa (eye worm) sugar transporter 0.0016 0.0106 0.0106
Mycobacterium ulcerans methionine aminopeptidase MapB 0.0029 0.0276 0.0222
Plasmodium falciparum choline kinase 0.0041 0.0446 0.0714
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0761 1 1
Entamoeba histolytica DNA repair and recombination protein RAD52, putative 0.0341 0.4424 0.4424
Trypanosoma cruzi prolyl-tRNA synthetase, putative 0.0039 0.0419 0.1392
Plasmodium vivax calcium-dependent protein kinase 4, putative 0.0035 0.0354 0.0567
Toxoplasma gondii lysine-tRNA ligase 0.0025 0.023 0.0483
Trichomonas vaginalis glucose transporter, putative 0.0035 0.036 0.0306
Treponema pallidum methionine aminopeptidase (map) 0.0029 0.0276 1
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0106 0.0051
Leishmania major glucose transporter/membrane transporter D2, putative 0.0035 0.036 0.1195
Echinococcus multilocularis 0.0008 0 0.0001
Plasmodium vivax DEAD/DEAH helicase, putative 0.001 0.0032 0.0052
Leishmania major hypothetical protein, conserved 0.0235 0.3011 1
Loa Loa (eye worm) hypothetical protein 0.0035 0.0354 0.0354
Plasmodium falciparum hexose transporter 0.0113 0.1392 0.2229
Leishmania major myo-inositol/proton symporter (MIT) 0.0016 0.0106 0.0353
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0029 0.0276 0.1169
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Plasmodium vivax lysine--tRNA ligase, putative 0.0025 0.023 0.0368
Brugia malayi major facilitator superfamily protein 0.0016 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0113 0.1392 0.5904
Chlamydia trachomatis lysine--tRNA ligase 0.0025 0.023 0.7933
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPB (MAP) (PEPTIDASE M) 0.0029 0.0276 0.5813
Brugia malayi Cam kinase protein 1 0.0035 0.0354 0.0354
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Wolbachia endosymbiont of Brugia malayi methionine aminopeptidase 0.0029 0.0276 1
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.036 0.1195
Toxoplasma gondii methionine aminopeptidase, type i, putative 0.0029 0.0276 0.0595
Loa Loa (eye worm) helicase DNA-binding protein 0.0011 0.0048 0.0048
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.034 0.034
Trichomonas vaginalis lysyl-tRNA synthetase, putative 0.0025 0.023 0.0175
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.023 0.0176
Chlamydia trachomatis methionine aminopeptidase 0.0029 0.0276 1
Trypanosoma brucei methionine aminopeptidase, type I, putative 0.0045 0.0495 0.1644
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0235 0.3011 0.2972
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0048 0.0341
Plasmodium vivax calcium-dependent protein kinase 3, putative 0.0035 0.0354 0.0567
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Brugia malayi Bifunctional aminoacyl-tRNA synthetase 0.0034 0.0345 0.0345
Echinococcus multilocularis Sugar transporter ERD6 protein 0.0016 0.0106 0.0765
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Leishmania major hypothetical protein, conserved 0.0025 0.0224 0.0745
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Leishmania major methionine aminopeptidase, putative,metallo-peptidase, Clan MG, Family M24 0.0045 0.0495 0.1644
Plasmodium falciparum calcium-dependent protein kinase 5 0.0035 0.0354 0.0567
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0045 0.0495 0.1644
Schistosoma mansoni glucose transport protein 0.0113 0.1392 0.5904
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0354 0.2544
Plasmodium falciparum protein kinase 6 0.0478 0.6244 1
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Entamoeba histolytica protein kinase, putative 0.0035 0.0354 0.0354
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.1392 1
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 1 0.0035 0.0354 0.2544
Plasmodium falciparum protein kinase 7 0.0318 0.4122 0.6601
Trypanosoma brucei glucose transporter, putative 0.0035 0.036 0.1195
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0224 0.0359
Echinococcus multilocularis global transcription activator snf2l2 0.0066 0.0771 0.5539
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0545 0.0545
Loa Loa (eye worm) major facilitator superfamily transporter 0.0016 0.0106 0.0106
Echinococcus multilocularis BRK domain 0.0011 0.0048 0.0341
Loa Loa (eye worm) methionine aminopeptidase type I 0.0045 0.0495 0.0495
Schistosoma mansoni hypothetical protein 0.0033 0.034 0.1442
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Trypanosoma cruzi sugar transporter, putative 0.0016 0.0106 0.0353
Schistosoma mansoni hypothetical protein 0.0011 0.0043 0.0183
Schistosoma mansoni hypothetical protein 0.0015 0.0102 0.043
Trichomonas vaginalis conserved hypothetical protein 0.0035 0.036 0.0306
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0354 0.2544
Trichomonas vaginalis glucose transporter, putative 0.0035 0.036 0.0306
Brugia malayi lysyl-tRNA synthetase 0.0025 0.023 0.023
Plasmodium falciparum lysine--tRNA ligase 0.0025 0.023 0.0368
Loa Loa (eye worm) BRM protein 0.0042 0.0455 0.0455
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0761 1 1
Echinococcus multilocularis General substrate transporter 0.0097 0.1182 0.8489
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0048 0.0341
Trypanosoma cruzi hexose transporter, putative 0.0016 0.0106 0.0353
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Trypanosoma brucei methionine aminopeptidase, putative 0.0045 0.0495 0.1644
Schistosoma mansoni nuclear transcription factor X-box binding 1 (nfx1) 0.0016 0.0106 0.0451
Brugia malayi Sugar transporter family protein 0.0016 0.0106 0.0106
Plasmodium vivax CDK-related protein kinase 6, putative 0.0478 0.6244 1
Mycobacterium ulcerans sugar transporter 0.0016 0.0106 0.0052
Trypanosoma brucei myo-inositol/proton symporter (MIT) 0.0016 0.0106 0.0353
Mycobacterium tuberculosis Methionine aminopeptidase MapA (map) (peptidase M) (MetAP) 0.0029 0.0276 0.025
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0029 0.0276 0.1981
Trypanosoma brucei hypothetical protein, conserved 0.0017 0.0116 0.0383
Schistosoma mansoni hypothetical protein 0.0011 0.0048 0.0201
Trichomonas vaginalis sugar transport protein, putative 0.0016 0.0106 0.0051
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0015 0.0102 0.073
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0761 1 1
Trypanosoma brucei glucose transporter, putative 0.0035 0.036 0.1195
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Mycobacterium tuberculosis Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase) 0.0021 0.018 0.0108
Plasmodium falciparum methionine aminopeptidase 1b, putative 0.0045 0.0495 0.0793
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Brugia malayi Sugar transporter family protein 0.0113 0.1392 0.1392
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.1392 1
Mycobacterium ulcerans phosphotyrosine protein phosphatase PtpA 0.0761 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0035 0.0354 0.1502
Schistosoma mansoni protein kinase 0.0035 0.0354 0.1502
Echinococcus multilocularis calcium:calmodulin dependent protein kinase type 0.0035 0.0354 0.2544
Trypanosoma brucei glucose transporter 1E 0.0035 0.036 0.1195
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.036 0.1195
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0106 0.0051
Echinococcus multilocularis methionyl aminopeptidase 1 (M24 family) 0.0045 0.0495 0.3557
Mycobacterium leprae Possible lysyl-tRNA synthetase 2 LysX 0.0025 0.023 0.3046
Plasmodium falciparum DEAD/DEAH box helicase, putative 0.001 0.0032 0.0052
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0354 0.2544
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.023 0.0975
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0048 0.0341
Plasmodium falciparum HP12 protein homolog, putative 0.0017 0.0116 0.0185
Schistosoma mansoni protein kinase 0.0035 0.0354 0.1502
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0106 0.0106
Toxoplasma gondii hypothetical protein 0.0017 0.0116 0.0203
Loa Loa (eye worm) calcium/calmodulin-dependent protein kinase ID 0.0035 0.0354 0.0354
Loa Loa (eye worm) hypothetical protein 0.0015 0.0102 0.0102
Echinococcus multilocularis solute carrier family 2, facilitated glucose 0.0113 0.1392 1
Giardia lamblia Low molecular weight protein-tyrosine-phosphatase 0.0761 1 1
Loa Loa (eye worm) hypothetical protein 0.0025 0.0224 0.0224
Schistosoma mansoni glucose transporter 0.0016 0.0106 0.0451
Echinococcus multilocularis chromodomain helicase DNA binding protein 7 0.0011 0.0048 0.0341
Echinococcus granulosus synaptic vesicle 2 protein 0.0016 0.0106 0.0765
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Brugia malayi Methionine aminopeptidase protein type I 0.0045 0.0495 0.0495
Entamoeba histolytica Rad52/22 family double-strand break repair protein, putative 0.0097 0.1184 0.1184
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.1392 1
Echinococcus granulosus solute carrier family 22 0.0016 0.0106 0.0765
Toxoplasma gondii sugar transporter ST2 0.0016 0.0106 0.0181
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Trypanosoma cruzi hexose transporter 0.0035 0.036 0.1195
Mycobacterium tuberculosis Methionine aminopeptidase MapB (map) (peptidase M) 0.0029 0.0276 0.025
Trypanosoma cruzi hypothetical protein, conserved 0.0235 0.3011 1
Leishmania major lysyl-tRNA synthetase, putative 0.0025 0.023 0.0763
Mycobacterium ulcerans sugar-transport integral membrane protein SugI 0.0016 0.0106 0.0052
Loa Loa (eye worm) CAMK/CAMK2 protein kinase 0.0035 0.0354 0.0354
Trichomonas vaginalis sugar transporter, putative 0.0035 0.036 0.0306
Trypanosoma brucei low molecular weight protein tyrosine phosphatase, putative 0.0235 0.3011 1
Schistosoma mansoni lysyl-tRNA synthetase 0.0025 0.023 0.0975
Plasmodium vivax methionine aminopeptidase 1b, putative 0.0045 0.0495 0.0793
Brugia malayi hypothetical protein 0.0016 0.0108 0.0108
Toxoplasma gondii protein kinase, putative 0.0318 0.4122 1
Entamoeba histolytica protein kinase, putative 0.0035 0.0354 0.0354
Loa Loa (eye worm) hypothetical protein 0.0049 0.0545 0.0545
Echinococcus granulosus Chromo domain 0.0011 0.0048 0.0342
Echinococcus multilocularis synaptic vesicle 2 protein 0.0016 0.0106 0.0765
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Trichomonas vaginalis glucose transporter, putative 0.0016 0.0106 0.0051
Loa Loa (eye worm) latrophilin receptor protein 2 0.0015 0.0102 0.0102
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.1392 1
Schistosoma mansoni hypothetical protein 0.0015 0.0102 0.043
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0106 0.0051
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0048 0.0341
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Schistosoma mansoni hypothetical protein 0.0015 0.0102 0.043
Loa Loa (eye worm) BRM protein 0.0034 0.0348 0.0348
Mycobacterium leprae PROBABLE METHIONINE AMINOPEPTIDASE MAPA (MAP) (PEPTIDASE M) (MetAP) 0.0029 0.0276 0.5813
Plasmodium vivax hypothetical protein, conserved 0.0017 0.0116 0.0185
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0761 1 1
Brugia malayi hypothetical protein 0.0016 0.0106 0.0106
Entamoeba histolytica protein tyrosine phosphatase, putative 0.0761 1 1
Toxoplasma gondii SWI2/SNF2 Brahma-like putative 0.0012 0.0056 0.0057
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0116 0.0383
Echinococcus granulosus DNA repair and recombination protein RAD54B 0.0008 0 0.0001
Trichomonas vaginalis low molecular weight protein tyrosine phosphatase, putative 0.0761 1 1
Echinococcus granulosus GPCR family 2 0.0015 0.0102 0.073
Trypanosoma brucei THT1 - hexose transporter, putative 0.0035 0.036 0.1195
Echinococcus multilocularis GPCR, family 2 0.0015 0.0102 0.073
Trypanosoma brucei glucose transporter, putative 0.0035 0.036 0.1195
Schistosoma mansoni sugar transporter 0.0016 0.0106 0.0451
Echinococcus granulosus glutamyl tRNA synthetase cytoplasmic 0.0034 0.0345 0.2478
Trypanosoma brucei glucose transporter, putative 0.0035 0.036 0.1195
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0043 0.0312
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0545 0.0545
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.1392 1
Brugia malayi Associated with TFs and helicases family protein 0.0011 0.0048 0.0048
Echinococcus granulosus global transcription activator snf2l2 0.0066 0.0771 0.5539
Echinococcus multilocularis glutamyl tRNA synthetase cytoplasmic 0.0034 0.0345 0.2478
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Entamoeba histolytica hypothetical protein 0.0097 0.1184 0.1184
Plasmodium vivax hexose transporter 0.0113 0.1392 0.2229
Plasmodium falciparum calcium-dependent protein kinase 1 0.0035 0.0354 0.0567
Loa Loa (eye worm) sugar transporter 0.0113 0.1392 0.1392
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0224 0.0745
Echinococcus granulosus dna repair and recombination protein rad54 0.0008 0 0.0001
Loa Loa (eye worm) hypothetical protein 0.0034 0.0345 0.0345
Plasmodium vivax proline--tRNA ligase, putative 0.0039 0.0419 0.0671
Trypanosoma cruzi hexose transporter, putative 0.0035 0.036 0.1195
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Leishmania major hypothetical protein, conserved 0.0017 0.0116 0.0383
Plasmodium falciparum calcium-dependent protein kinase 4 0.0035 0.0354 0.0567
Toxoplasma gondii transporter, major facilitator family protein 0.0016 0.0106 0.0181
Loa Loa (eye worm) hypothetical protein 0.0025 0.023 0.023
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0224 0.0359
Trypanosoma cruzi metallo- peptidase, Clan MG, Family M24 0.0045 0.0495 0.1644
Echinococcus multilocularis Chromo domain 0.0011 0.0048 0.0342
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0345 0.1462
Giardia lamblia DNA repair protein RAD52 0.0341 0.4424 0.4364
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0224 0.047
Echinococcus multilocularis solute carrier family 22 0.0016 0.0106 0.0765
Echinococcus granulosus choline:ethanolamine kinase 0.0041 0.0446 0.3203
Toxoplasma gondii calcium-dependent protein kinase CDPK2B 0.0035 0.0354 0.0787
Plasmodium vivax calcium-dependent protein kinase 1, putative 0.0035 0.0354 0.0567
Trypanosoma brucei metallo- peptidase, Clan MG, Family M24 0.0045 0.0495 0.1644
Echinococcus granulosus solute carrier family 22 0.0016 0.0106 0.0765
Brugia malayi Major Facilitator Superfamily protein 0.0016 0.0106 0.0106
Schistosoma mansoni amine GPCR 0.0185 0.2358 1
Echinococcus multilocularis solute carrier family 22 0.0016 0.0106 0.0765
Plasmodium vivax sugar transporter, putative 0.0016 0.0106 0.017
Toxoplasma gondii cell-cycle-associated protein kinase MAPK, putative 0.0182 0.2313 0.5577
Echinococcus granulosus methionyl aminopeptidase 1 M24 family 0.0045 0.0495 0.3557
Brugia malayi hypothetical protein 0.0016 0.0106 0.0106
Echinococcus granulosus BRK domain containing protein 0.0011 0.0048 0.0341
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Brugia malayi Sugar transporter family protein 0.0016 0.0106 0.0106
Plasmodium vivax methionine aminopeptidase 1a, putative 0.0029 0.0276 0.0441
Schistosoma mansoni methionyl aminopeptidase 1 (M24 family) 0.0029 0.0276 0.1169
Giardia lamblia Prolyl-tRNA synthetase 0.0034 0.0345 0.0241
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0015 0.0102 0.073
Mycobacterium ulcerans methionine aminopeptidase 0.0029 0.0276 0.0222
Toxoplasma gondii prolyl-tRNA synthetase (ProRS) 0.0039 0.0419 0.0946
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0224 0.0745
Trichomonas vaginalis sugar transporter, putative 0.0035 0.036 0.0306
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Mycobacterium ulcerans lysyl-tRNA synthetase 0.0025 0.023 0.0176
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Mycobacterium ulcerans integral membrane transport protein 0.0016 0.0106 0.0052
Schistosoma mansoni glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs) 0.0034 0.0345 0.1462
Plasmodium falciparum calcium-dependent protein kinase 3 0.0035 0.0354 0.0567
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Mycobacterium ulcerans fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT 0.0016 0.0106 0.0052
Trypanosoma brucei glucose transporter, putative 0.0035 0.036 0.1195
Trichomonas vaginalis myo-inositol transporter, putative 0.0016 0.0106 0.0051
Echinococcus granulosus solute carrier family 22 0.0016 0.0106 0.0765
Trypanosoma cruzi hypothetical protein, conserved 0.0017 0.0116 0.0383
Trypanosoma brucei glucose transporter, putative 0.0035 0.036 0.1195
Echinococcus granulosus solute carrier family 2 facilitated glucose 0.0113 0.1392 1
Trichomonas vaginalis sugar transporter, putative 0.0035 0.036 0.0306
Loa Loa (eye worm) choline/ethanolamine kinase 0.0041 0.0446 0.0446
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0419 0.1392
Trypanosoma cruzi hypothetical protein, conserved 0.0235 0.3011 1
Leishmania major glucose transporter, lmgt3 0.0035 0.036 0.1195
Schistosoma mansoni hypothetical protein 0.0015 0.0102 0.043
Schistosoma mansoni glucose transport protein 0.0113 0.1392 0.5904
Brugia malayi BRM protein 0.0066 0.0771 0.0771
Trichomonas vaginalis low molecular weight protein-tyrosine-phosphatase, putative 0.0761 1 1
Toxoplasma gondii sugar transporter ST1 0.0016 0.0106 0.0181
Leishmania major glucose transporter, lmgt1 0.0035 0.036 0.1195
Schistosoma mansoni sugar transporter 0.0016 0.0106 0.0451
Plasmodium vivax choline kinase, putative 0.0041 0.0446 0.0714
Loa Loa (eye worm) bifunctional aminoacyl-tRNA synthetase 0.0014 0.008 0.008
Toxoplasma gondii phosphotransferase enzyme family protein 0.0041 0.0446 0.1011
Echinococcus granulosus Sugar transporter ERD6 protein 0.0016 0.0106 0.0765
Schistosoma mansoni helicase 0.0066 0.0771 0.327
Trypanosoma brucei glucose transporter 2A 0.0035 0.036 0.1195
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Echinococcus granulosus solute carrier family 22 0.0016 0.0106 0.0765
Plasmodium falciparum methionine aminopeptidase 1a, putative 0.0029 0.0276 0.0441
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Plasmodium falciparum proline--tRNA ligase 0.0039 0.0419 0.0671
Toxoplasma gondii calcium-dependent protein kinase CDPK3 0.0035 0.0354 0.0787
Echinococcus multilocularis solute carrier family 22 0.0016 0.0106 0.0765
Trypanosoma cruzi glucose transporter, putative 0.0016 0.0106 0.0353
Brugia malayi major facilitator superfamily protein 0.0016 0.0106 0.0106
Trypanosoma brucei bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0419 0.1392
Brugia malayi hypothetical protein 0.0016 0.0106 0.0106
Leishmania major prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative 0.0039 0.0419 0.1392
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.1392 0.1344
Schistosoma mansoni hypothetical protein 0.0011 0.0048 0.0202
Giardia lamblia Lysyl-tRNA synthetase 0.0025 0.023 0.0125
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0354 0.2544
Echinococcus granulosus calcium:calmodulin dependent protein kinase type 0.0035 0.0354 0.2544
Toxoplasma gondii methionine aminopeptidase 0.0045 0.0495 0.1131
Trypanosoma cruzi hexose transporter, putative 0.0035 0.036 0.1195
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0545 0.0545
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0048 0.0341
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Loa Loa (eye worm) hypothetical protein 0.0033 0.034 0.034
Plasmodium falciparum mitogen-activated protein kinase 2 0.0182 0.2313 0.3704
Echinococcus multilocularis BRK domain containing protein 0.0011 0.0048 0.0341
Leishmania major hypothetical protein, conserved 0.0016 0.0106 0.0353
Brugia malayi bifunctional aminoacyl-tRNA synthetase 0.0034 0.0345 0.0345
Echinococcus granulosus calcium dependent protein kinase 0.0032 0.0326 0.2341
Echinococcus multilocularis calcium dependent protein kinase 0.0032 0.0326 0.2341
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Entamoeba histolytica prolyl-tRNA synthetase, putative 0.0034 0.0345 0.0345
Toxoplasma gondii calcium-dependent protein kinase CDPK2A 0.0035 0.0354 0.0787
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Brugia malayi hypothetical protein 0.0025 0.0224 0.0224
Schistosoma mansoni protein kinase 0.0035 0.0354 0.1502
Loa Loa (eye worm) hypothetical protein 0.0016 0.0106 0.0106
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Trypanosoma brucei glucose transporter, putative 0.0035 0.036 0.1195
Toxoplasma gondii methionine aminopeptidase 0.0029 0.0276 0.0595
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0015 0.0102 0.0101
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0015 0.0102 0.073
Brugia malayi Choline/ethanolamine kinase family protein 0.0041 0.0446 0.0446
Onchocerca volvulus 0.0761 1 1
Trypanosoma brucei lysyl-tRNA synthetase, putative 0.0025 0.023 0.0763
Mycobacterium leprae Probable prolyl tRNA synthetase ProS 0.0034 0.0345 1
Trichomonas vaginalis prolyl-tRNA synthetase, putative 0.0034 0.0345 0.0291
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Echinococcus multilocularis solute carrier family 2 facilitated glucose 0.0113 0.1392 1
Echinococcus multilocularis dna repair and recombination protein rad54 0.0008 0 0.0001
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051
Mycobacterium tuberculosis Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase) 0.0527 0.6885 1
Plasmodium vivax calcium-dependent protein kinase, putative 0.0035 0.0354 0.0567
Trichomonas vaginalis conserved hypothetical protein 0.0016 0.0106 0.0051
Trypanosoma cruzi lysyl-tRNA synthetase, putative 0.0025 0.023 0.0763
Trichomonas vaginalis sugar transporter, putative 0.0016 0.0106 0.0051

Activities

Activity type Activity value Assay description Source Reference
EC50 (functional) = 0.16 uM Antiviral activity was tested in absence of human serum in MT-4 cells (in vitro) ChEMBL. 14552751
EC50 (functional) = 2.071 uM Antiviral activity was tested in presence of 50% human serum in MT-4 cells (in vitro) ChEMBL. 14552751
Inhibition (binding) = 43 % Inhibitory activity against HIV protease at a compound concentration of 0.5 nM in MT-4 cells ChEMBL. 14552751
Inhibition (binding) = 43 % Inhibitory activity against HIV protease at a compound concentration of 0.5 nM in MT-4 cells ChEMBL. 14552751

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.
 
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External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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