Detailed information for compound 457239

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 447.053 | Formula: C25H33ClNO2S-
  • H donors: 1 H acceptors: 2 LogP: 4.09 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)[C@@H]1CCCN(C1)CCCSC(c1cccc(c1C)C)c1ccccc1C.[Cl-]
  • InChi: 1S/C25H33NO2S.ClH/c1-18-10-6-13-23(20(18)3)24(22-12-5-4-9-19(22)2)29-16-8-15-26-14-7-11-21(17-26)25(27)28;/h4-6,9-10,12-13,21,24H,7-8,11,14-17H2,1-3H3,(H,27,28);1H/p-1/t21-,24?;/m1./s1
  • InChiKey: FVIVZNYFUILMGY-TXMHOICOSA-M  


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
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.002 0.007 0.0183
Brugia malayi bHLH-PAS transcription factor 0.0025 0.0122 0.0259
Schistosoma mansoni jumonji domain containing protein 0.0085 0.0794 0.1991
Plasmodium falciparum heat shock protein 90, putative 0.0028 0.0156 0.0566
Schistosoma mansoni endoplasmin 0.0048 0.0381 0.088
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0348 0.3154
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0137
Entamoeba histolytica UDP-glucose 4-epimerase, putative 0.0069 0.0614 0.6184
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0286 0.0627
Schistosoma mansoni hypothetical protein 0.0071 0.0645 0.159
Onchocerca volvulus 0.003 0.0182 0.0347
Trypanosoma brucei heat shock protein 90, putative 0.0048 0.0381 0.163
Schistosoma mansoni UDP-glucose 4-epimerase 0.0069 0.0614 0.1507
Trypanosoma cruzi UDP-galactose 4-epimerase 0.0069 0.0614 0.2419
Schistosoma mansoni serine/threonine protein kinase 0.0099 0.095 0.2409
Echinococcus granulosus Excitatory amino acid transporter 0.0351 0.3777 1
Loa Loa (eye worm) hypothetical protein 0.0015 0.0007 0.0016
Echinococcus multilocularis UDP glucose 4 epimerase 0.0069 0.0614 0.0607
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0352 0.0345
Trichomonas vaginalis heat shock protein, putative 0.0041 0.0303 0.2648
Schistosoma mansoni sodium/chloride dependent transporter 0.0019 0.0056 0.001
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Chlamydia trachomatis Ssodium-dependent amino acid transporter 0.0019 0.0053 0.0089
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Toxoplasma gondii heat shock protein 75, putative 0.0032 0.0201 0.081
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0026 0.0131 0.1579
Trypanosoma cruzi hypothetical protein, conserved 0.0222 0.2334 1
Brugia malayi Cytochrome P450 family protein 0.002 0.0065 0.0107
Brugia malayi hypoxia-induced factor 1 0.0104 0.1006 0.2616
Schistosoma mansoni hypothetical protein 0.0074 0.0672 0.1662
Echinococcus multilocularis excitatory amino acid transporter 3 0.0351 0.3777 0.3772
Giardia lamblia UDP-glucose 4-epimerase 0.0071 0.0645 0.6541
Mycobacterium ulcerans heat shock protein 90 0.0045 0.0348 0.6777
Echinococcus multilocularis neutral amino acid transporter A 0.0351 0.3777 0.3772
Mycobacterium ulcerans hypothetical protein 0.0026 0.0131 0.1579
Echinococcus granulosus endoplasmin 0.0045 0.0348 0.0903
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.007 0.012
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0352 0.0916
Echinococcus multilocularis uncharacterized sodium dependent transporter 0.0019 0.0053 0.0046
Echinococcus granulosus sodium:chloride dependent neurotransmitter 0.0123 0.1221 0.3221
Echinococcus granulosus sodium dependent neurotransmitter transporter 0.0019 0.0053 0.0121
Giardia lamblia Grp94/Hsp90 0.0045 0.0348 0.3154
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Trichomonas vaginalis heat shock protein, putative 0.0048 0.0381 0.3529
Schistosoma mansoni hypothetical protein 0.0033 0.0209 0.0421
Schistosoma mansoni kinase 0.005 0.0406 0.0949
Echinococcus granulosus GPCR family 2 0.0033 0.0215 0.0551
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Echinococcus multilocularis Excitatory amino acid transporter 0.0351 0.3777 0.3772
Echinococcus multilocularis endoplasmin 0.0045 0.0348 0.0341
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.007 0.0022
Echinococcus multilocularis lamin 0.003 0.0182 0.0175
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0099 0.095 0.2513
Echinococcus multilocularis excitatory amino acid transporter 2 0.0351 0.3777 0.3772
Brugia malayi jmjC domain containing protein 0.0039 0.0286 0.0696
Schistosoma mansoni hypothetical protein 0.0033 0.0215 0.0435
Leishmania major DNA polymerase kappa, putative 0.002 0.007 0.0022
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0137
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0209 0.0421
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Brugia malayi heat shock protein 90 0.0048 0.0381 0.0947
Loa Loa (eye worm) hypothetical protein 0.0123 0.1221 0.3232
Trypanosoma brucei heat shock protein, putative 0.0048 0.0381 0.163
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0215 0.0208
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0155 0.1587 0.1581
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Plasmodium falciparum heat shock protein 90 0.0048 0.0381 0.1797
Plasmodium falciparum endoplasmin, putative 0.0035 0.0233 0.0991
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.007 0.0022
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0209 0.0859
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0107 0.104 0.274
Mycobacterium ulcerans DNA polymerase IV 0.002 0.007 0.0118
Trypanosoma cruzi Heat shock protein 83, putative 0.0048 0.0381 0.139
Onchocerca volvulus Serine\/threonine kinase homolog 0.0099 0.095 0.2409
Echinococcus granulosus lamin dm0 0.003 0.0182 0.0464
Schistosoma mansoni endoplasmin 0.0048 0.0381 0.088
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.1015 0.2687
Echinococcus granulosus sodium:dicarboxylate symporter 0.0351 0.3777 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0215 0.0566
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0137
Brugia malayi Intermediate filament tail domain containing protein 0.003 0.0182 0.0418
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0041 0.0303 0.0785
Echinococcus granulosus neutral amino acid transporter A 0.0351 0.3777 1
Loa Loa (eye worm) transcription factor SMAD2 0.0132 0.1322 0.3498
Brugia malayi Excitatory amino acid transporter 0.0351 0.3777 1
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0069 0.0614 0.6184
Schistosoma mansoni aldehyde dehydrogenase 0.0057 0.0482 0.1152
Trypanosoma brucei unspecified product 0.002 0.007 0.03
Brugia malayi intermediate filament protein 0.003 0.0182 0.0418
Schistosoma mansoni solute carrier family 1 (glial high affinity glutamate transporter 0.0351 0.3777 1
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0057 0.0482 0.0475
Trypanosoma cruzi heat shock protein 85, putative 0.0048 0.0381 0.139
Echinococcus multilocularis sodium dependent neurotransmitter transporter 0.0019 0.0053 0.0046
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0155 0.1587 0.4121
Brugia malayi jmjC domain containing protein 0.0107 0.104 0.2705
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0053 0.0074
Onchocerca volvulus Excitatory amino acid transporter homolog 0.0351 0.3777 1
Trypanosoma brucei heat shock protein 90, putative 0.0048 0.0381 0.163
Loa Loa (eye worm) hypothetical protein 0.0071 0.0645 0.1705
Treponema pallidum heat shock protein 90 0.0045 0.0348 0.1921
Trypanosoma brucei hypothetical protein, conserved 0.0222 0.2334 1
Echinococcus granulosus excitatory amino acid transporter 3 0.0351 0.3777 1
Onchocerca volvulus Alhambra homolog 0.0033 0.0209 0.0421
Onchocerca volvulus 0.0025 0.0122 0.0186
Loa Loa (eye worm) hypothetical protein 0.003 0.0182 0.0479
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0099 0.095 0.0943
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Trichomonas vaginalis endoplasmin, putative 0.0035 0.0233 0.1857
Loa Loa (eye worm) endoplasmin 0.0048 0.0381 0.1005
Trypanosoma cruzi heat shock protein, putative 0.0032 0.0201 0.0596
Mycobacterium tuberculosis Probable C4-dicarboxylate-transport transmembrane protein DctA 0.0351 0.3777 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0074 0.0672 0.0665
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1332 0.3437
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.002 0.007 0.0167
Loa Loa (eye worm) hypothetical protein 0.0123 0.1221 0.3232
Echinococcus granulosus serotonin transporter 0.0019 0.0053 0.0121
Loa Loa (eye worm) CYP4Cod1 0.002 0.0065 0.017
Leishmania major hypothetical protein, conserved 0.0222 0.2334 1
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0209 0.0536
Plasmodium vivax heat shock protein 90, putative 0.0032 0.0201 0.081
Trypanosoma brucei cytochrome P450, putative 0.002 0.0065 0.0279
Trichomonas vaginalis NAD dependent epimerase/dehydratase, putative 0.0069 0.0614 0.6184
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.007 0.0022
Schistosoma mansoni lamin 0.003 0.0182 0.0347
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Trypanosoma cruzi hypothetical protein, conserved 0.0222 0.2334 1
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1332 0.3437
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0209 0.0552
Loa Loa (eye worm) norepinephrine transporter 0.0019 0.0053 0.0137
Trypanosoma brucei polo-like protein kinase 0.0099 0.095 0.4069
Loa Loa (eye worm) solute carrier family 6 member 4 0.0019 0.0053 0.0137
Loa Loa (eye worm) excitatory amino acid transporter 0.0351 0.3777 1
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0392 0.3654
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0045 0.0348 0.0749
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0215 0.0208
Leishmania major heat shock protein, putative 0.0032 0.0201 0.0596
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0019 0.0053 0.0121
Loa Loa (eye worm) hypoxia-induced factor 1 0.0104 0.1006 0.2663
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0384 0.0888
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1332 0.3437
Brugia malayi UDP galactose 4'-epimerase 0.0069 0.0614 0.157
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1332 0.3437
Trypanosoma brucei heat shock protein, putative 0.0048 0.0381 0.163
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0045 0.0348 0.5
Brugia malayi ImpB/MucB/SamB family protein 0.002 0.007 0.012
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0123 0.1221 0.3138
Brugia malayi hypothetical protein 0.0112 0.1104 0.2876
Echinococcus granulosus neutral amino acid transporter 0.0351 0.3777 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0215 0.0506
Brugia malayi Cytochrome P450 family protein 0.002 0.0065 0.0107
Loa Loa (eye worm) heat shock protein 90 0.0048 0.0381 0.1005
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0053 0.0074
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Echinococcus granulosus excitatory amino acid transporter 2 0.0351 0.3777 1
Mycobacterium ulcerans aldehyde dehydrogenase 0.0057 0.0482 1
Trypanosoma cruzi heat shock protein 90, putative 0.002 0.0069 0.0016
Echinococcus granulosus UDP glucose 4 epimerase 0.0069 0.0614 0.161
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.095 1
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0215 0.0506
Trypanosoma cruzi heat shock protein 90, putative 0.0048 0.0381 0.139
Leishmania major udp-glc 4-epimerase, putative 0.0071 0.0645 0.2558
Loa Loa (eye worm) heat shock protein 75 0.0032 0.0201 0.0528
Echinococcus granulosus uncharacterized sodium dependent transporter 0.0019 0.0053 0.0121
Echinococcus granulosus single minded 2 0.0025 0.0122 0.0305
Entamoeba histolytica heat shock protein 90, putative 0.0048 0.0381 0.3529
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Echinococcus multilocularis musashi 0.003 0.0182 0.0175
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.0645 0.1652
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.095 1
Loa Loa (eye worm) serotonin transporter b 0.0019 0.0053 0.0137
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0099 0.095 0.3899
Echinococcus granulosus dna polymerase kappa 0.002 0.007 0.0167
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0351 0.3777 0.3772
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.095 1
Loa Loa (eye worm) hypothetical protein 0.0104 0.1015 0.2687
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.095 1
Trypanosoma brucei heat shock protein, putative 0.0048 0.0381 0.163
Echinococcus multilocularis Excitatory amino acid transporter 0.0351 0.3777 0.3772
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0209 0.0859
Giardia lamblia Kinase, PLK 0.0099 0.095 1
Echinococcus granulosus Excitatory amino acid transporter 0.0351 0.3777 1
Plasmodium falciparum heat shock protein 90, putative 0.0181 0.1877 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0132 0.1322 0.3498
Echinococcus multilocularis dna polymerase kappa 0.002 0.007 0.0063
Echinococcus granulosus sodium and chloride dependent glycine 0.0019 0.0053 0.0121
Echinococcus multilocularis heat shock protein 90 0.0041 0.0303 0.0296
Brugia malayi Bromodomain containing protein 0.0033 0.0209 0.0491
Echinococcus granulosus intermediate filament protein 0.003 0.0182 0.0464
Echinococcus multilocularis heat shock protein 90 0.0048 0.0381 0.0374
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0045 0.0348 0.1245
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0065 0.017
Plasmodium vivax heat shock protein, putative 0.0181 0.1877 1
Echinococcus granulosus neutral amino acid transporter A 0.0351 0.3777 1
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.007 0.03
Mycobacterium tuberculosis Conserved protein 0.0026 0.0131 0.0164
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.007 0.03
Treponema pallidum glutamate transporter 0.0155 0.1587 1
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0131 0.029
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Schistosoma mansoni aryl hydrocarbon receptor 0.0033 0.022 0.0448
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.002 0.007 0.0047
Loa Loa (eye worm) cytochrome P450 family protein 0.002 0.0065 0.017
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.095 0.3899
Trypanosoma brucei heat shock protein, putative 0.0048 0.0381 0.163
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Toxoplasma gondii Hsp90 domain-containing protein 0.0181 0.1877 1
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0131 0.029
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0123 0.1221 0.3138
Echinococcus multilocularis peregrin 0.0033 0.0209 0.0202
Brugia malayi RNA recognition motif domain containing protein 0.0133 0.1332 0.3485
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0384 0.0888
Toxoplasma gondii heat shock protein 90, putative 0.0048 0.0381 0.1797
Entamoeba histolytica hypothetical protein 0.0074 0.0672 0.6837
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.0598 0.1582
Echinococcus granulosus citrate lyase subunit beta protein 0.0026 0.0131 0.0328
Entamoeba histolytica 90 kDa heat shock protein, putative 0.0032 0.0201 0.1482
Giardia lamblia PHD finger protein 15 0.0033 0.0209 0.1583
Schistosoma mansoni transcription factor LCR-F1 0.0074 0.0672 0.1662
Schistosoma mansoni hypothetical protein 0.0033 0.0215 0.0435
Echinococcus multilocularis citrate lyase subunit beta protein 0.0026 0.0131 0.0124
Loa Loa (eye worm) hypothetical protein 0.0033 0.0215 0.0566
Echinococcus granulosus heat shock protein 90 0.0048 0.0381 0.099
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0016 0.0025 0.0064
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0384 0.0377
Schistosoma mansoni aldehyde dehydrogenase 0.0057 0.0482 0.1152
Trypanosoma cruzi polo-like protein kinase, putative 0.0099 0.095 0.3899
Entamoeba histolytica hypothetical protein 0.0074 0.0672 0.6837
Trypanosoma brucei heat shock protein, putative 0.0048 0.0381 0.163
Brugia malayi serine/threonine-protein kinase plk-2 0.0099 0.095 0.2465
Trypanosoma brucei DNA polymerase IV, putative 0.002 0.007 0.03
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0099 0.095 0.2501
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0026 0.0131 0.0164
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0048 0.0384 0.0888
Trypanosoma cruzi heat shock protein 85, putative 0.0048 0.0381 0.139
Brugia malayi RNA binding protein 0.0133 0.1332 0.3485
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.095 1
Plasmodium falciparum phd finger protein, putative 0.0033 0.0209 0.0859
Loa Loa (eye worm) jmjC domain-containing protein 0.0039 0.0286 0.0755
Trypanosoma brucei DNA polymerase kappa, putative 0.002 0.007 0.03
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0209 0.0859
Echinococcus multilocularis neutral amino acid transporter excitatory amino acid transporter 0.0155 0.1587 0.1581
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.0032 0.0201 0.0513
Echinococcus multilocularis dna polymerase eta 0.002 0.007 0.0063
Chlamydia trachomatis glutamate symporter 0.0351 0.3777 1
Schistosoma mansoni heat shock protein 0.0032 0.0201 0.0397
Toxoplasma gondii aldehyde dehydrogenase 0.0057 0.0482 0.2352
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.003 0.0182 0.0479
Echinococcus multilocularis tar DNA binding protein 0.0133 0.1332 0.1326
Brugia malayi MH2 domain containing protein 0.0132 0.1322 0.3456
Trypanosoma cruzi 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0026 0.0131 0.029
Trypanosoma cruzi DNA polymerase eta, putative 0.002 0.007 0.0022
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.002 0.007 0.0063
Trichomonas vaginalis heat shock protein, putative 0.0045 0.0348 0.3154
Echinococcus granulosus sodium and chloride dependent glycine 0.0019 0.0053 0.0121
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0053 0.0074
Trypanosoma brucei Heat shock protein 83, putative 0.0048 0.0381 0.163
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0384 0.0998
Loa Loa (eye worm) RNA binding protein 0.0133 0.1332 0.3526
Mycobacterium ulcerans aldehyde dehydrogenase 0.0057 0.0482 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0025 0.012 0.0316
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0057 0.0482 0.1259
Leishmania major DNA polymerase eta, putative 0.002 0.007 0.0022
Echinococcus multilocularis serotonin transporter 0.0019 0.0053 0.0046
Schistosoma mansoni intermediate filament proteins 0.003 0.0182 0.0347
Echinococcus multilocularis neutral amino acid transporter A 0.0351 0.3777 0.3772
Echinococcus multilocularis lamin dm0 0.003 0.0182 0.0175
Trichomonas vaginalis UDP-glucose 4-epimerase, putative 0.0069 0.0614 0.6184
Echinococcus multilocularis sodium:dicarboxylate symporter 0.0351 0.3777 0.3772
Mycobacterium ulcerans aldehyde dehydrogenase 0.0057 0.0482 1
Loa Loa (eye worm) hypothetical protein 0.0112 0.1104 0.2921
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0137
Mycobacterium ulcerans DNA polymerase IV 0.002 0.007 0.0118
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Schistosoma mansoni sodium/chloride dependent neurotransmitter transporter 0.0123 0.1221 0.3138
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0137
Toxoplasma gondii UDP-glucose 4-epimerase 0.0069 0.0614 0.3077
Echinococcus multilocularis sodium:chloride dependent neurotransmitter 0.0123 0.1221 0.1215
Echinococcus granulosus heat shock protein 90 0.0041 0.0303 0.0785
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0048 0.0384 0.0377
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0215 0.0551
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0137
Giardia lamblia Heat shock protein HSP 90-alpha 0.0041 0.0303 0.2648
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0019 0.0053 0.0137
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Brugia malayi hypothetical protein 0.0074 0.0672 0.1723
Loa Loa (eye worm) hypothetical protein 0.0056 0.047 0.1243
Trypanosoma cruzi DNA polymerase kappa, putative 0.002 0.007 0.0022
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0137
Echinococcus granulosus peregrin 0.0033 0.0209 0.0536
Trypanosoma brucei heat shock protein 84, putative 0.0032 0.0201 0.0859
Trypanosoma brucei heat shock protein, putative 0.0048 0.0381 0.163
Plasmodium vivax endoplasmin, putative 0.0048 0.0381 0.1797
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0048 0.0384 0.1013
Loa Loa (eye worm) intermediate filament protein 0.003 0.0182 0.0479
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.0032 0.0201 0.0397
Schistosoma mansoni hypothetical protein 0.0033 0.0215 0.0435
Brugia malayi TAR-binding protein 0.0133 0.1332 0.3485
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.095 1
Schistosoma mansoni single-minded 0.0033 0.022 0.0448
Mycobacterium ulcerans putative regulatory protein 0.0025 0.0122 0.1367
Echinococcus granulosus lysine specific demethylase 5A 0.0039 0.0286 0.074
Echinococcus multilocularis heat shock protein 0.0048 0.0381 0.0374
Loa Loa (eye worm) hypothetical protein 0.0033 0.0209 0.0552
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0131 0.1579
Loa Loa (eye worm) UDP galactose 4'-epimerase 0.0069 0.0614 0.1624
Giardia lamblia Heat shock protein HSP 90-alpha 0.0048 0.0381 0.3529
Schistosoma mansoni DNA polymerase eta 0.002 0.007 0.0047
Echinococcus multilocularis transfer RNA-Lys 0.0025 0.0122 0.0115
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0048 0.0384 0.0998
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0057 0.0482 0.1111
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0057 0.0482 0.1836
Schistosoma mansoni heat shock protein 0.0048 0.0381 0.088
Trypanosoma cruzi UDP-galactose 4-epimerase, putative 0.0069 0.0614 0.2419
Loa Loa (eye worm) hypothetical protein 0.003 0.0176 0.0463
Schistosoma mansoni lamin 0.003 0.0182 0.0347
Echinococcus multilocularis neutral amino acid transporter A 0.0351 0.3777 0.3772
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0026 0.0131 0.1579
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.0032 0.0201 0.0193
Echinococcus multilocularis sodium and chloride dependent glycine 0.0019 0.0053 0.0046
Trichomonas vaginalis CAMK family protein kinase 0.0099 0.095 1
Brugia malayi hypothetical protein 0.0019 0.0053 0.0074
Trypanosoma cruzi heat shock protein 85, putative 0.0041 0.0303 0.1048
Echinococcus granulosus tar DNA binding protein 0.0133 0.1332 0.3516
Onchocerca volvulus 0.003 0.0182 0.0347
Trypanosoma brucei DNA polymerase eta, putative 0.002 0.007 0.03
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0074 0.0672 0.1762
Entamoeba histolytica heat shock protein 90, putative 0.0048 0.0381 0.3529
Schistosoma mansoni hypothetical protein 0.0033 0.0215 0.0435
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.1015 0.264
Brugia malayi Cytochrome P450 family protein 0.0025 0.012 0.0254
Wolbachia endosymbiont of Brugia malayi Na+/H+-dicarboxylate symporter 0.0351 0.3777 1
Entamoeba histolytica serine/threonine protein kinase, putative 0.0099 0.095 1
Brugia malayi Hsp90 protein 0.0032 0.0201 0.0467
Trichomonas vaginalis heat shock protein, putative 0.0028 0.0156 0.0976
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Schistosoma mansoni sodium/dicarboxylate symporter-related 0.0155 0.1587 0.4121
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0209 0.0202
Echinococcus multilocularis excitatory amino acid transporter 2 0.0351 0.3777 0.3772
Brugia malayi Sodium:neurotransmitter symporter family protein 0.0019 0.0053 0.0074
Echinococcus multilocularis sodium and chloride dependent glycine 0.0019 0.0053 0.0046
Echinococcus multilocularis GPCR, family 2 0.0033 0.0215 0.0208
Schistosoma mansoni terminal deoxycytidyl transferase 0.002 0.007 0.0047
Trypanosoma brucei UDP-galactose 4-epimerase 0.0071 0.0645 0.2765
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0133 0.1332 0.3526
Trichomonas vaginalis heat shock protein, putative 0.0035 0.0233 0.1857
Loa Loa (eye worm) hypothetical protein 0.0019 0.0053 0.0137
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Echinococcus granulosus excitatory amino acid transporter 2 0.0351 0.3777 1
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0107 0.104 0.1034
Echinococcus granulosus heat shock protein 0.0048 0.0381 0.099
Echinococcus multilocularis lysine specific demethylase 5A 0.0039 0.0286 0.0279
Schistosoma mansoni heat shock protein 0.0048 0.0381 0.088
Trypanosoma brucei heat shock protein, putative 0.0048 0.0381 0.163
Plasmodium vivax heat shock protein 86, putative 0.0048 0.0381 0.1797
Mycobacterium ulcerans hypothetical protein 0.0026 0.0131 0.1579
Entamoeba histolytica hypothetical protein 0.0074 0.0672 0.6837
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.002 0.007 0.0022
Brugia malayi Endoplasmin precursor 0.0048 0.0381 0.0947
Loa Loa (eye worm) Sodium:neurotransmitter symporter family protein 0.0019 0.0053 0.0137
Schistosoma mansoni jumonji/arid domain-containing protein 0.0039 0.0286 0.0627
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.1015 0.264
Brugia malayi Sodium:neurotransmitter symporter family protein 1, putative 0.0019 0.0053 0.0074
Chlamydia trachomatis neutral amino acid transporter 0.0155 0.1587 0.4173
Loa Loa (eye worm) TAR-binding protein 0.0133 0.1332 0.3526
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Trichomonas vaginalis CAMK family protein kinase 0.0049 0.0392 0.3654
Toxoplasma gondii heat shock protein HSP90 0.0048 0.0381 0.1797
Trypanosoma cruzi heat shock protein 90, putative 0.0041 0.0303 0.1048
Echinococcus granulosus dna polymerase eta 0.002 0.007 0.0167
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0048 0.0384 0.0955
Trichomonas vaginalis Citrate lyase beta chain, putative 0.0026 0.0131 0.0692
Echinococcus granulosus lamin 0.003 0.0182 0.0464
Leishmania major heat shock protein 83-1 0.0048 0.0381 0.139
Trypanosoma brucei heat shock protein, putative 0.0048 0.0381 0.163
Entamoeba histolytica hypothetical protein 0.0074 0.0672 0.6837
Schistosoma mansoni tar DNA-binding protein 0.0133 0.1332 0.3437
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0215 0.0551
Brugia malayi PHD-finger family protein 0.0033 0.0209 0.0491
Treponema pallidum glutamate/aspartate transporter 0.0155 0.1587 1
Brugia malayi PAS domain containing protein 0.0033 0.022 0.0519
Trypanosoma cruzi heat shock protein 85, putative 0.0048 0.0381 0.139
Loa Loa (eye worm) hypothetical protein 0.002 0.007 0.0183

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 16.9 uM Inhibition of [3H]GABA uptake at mouse GAT1 expressed in D8 cells ChEMBL. 17517506

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

1 literature reference was collected for this gene.

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