Detailed information for compound 47688

Basic information

Technical information
  • TDR Targets ID: 47688
  • Name: 2-butan-2-ylsulfanyl-6-(phenoxymethyl)-1H-pyr imidin-4-one
  • MW: 290.381 | Formula: C15H18N2O2S
  • H donors: 1 H acceptors: 3 LogP: 3.85 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(Sc1nc(COc2ccccc2)cc(n1)O)C
  • InChi: 1S/C15H18N2O2S/c1-3-11(2)20-15-16-12(9-14(18)17-15)10-19-13-7-5-4-6-8-13/h4-9,11H,3,10H2,1-2H3,(H,16,17,18)
  • InChiKey: UHSYNASNDPMFQZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

Synonyms

  • 6-(phenoxymethyl)-2-sec-butylsulfanyl-1H-pyrimidin-4-one
  • 6-(phenoxymethyl)-2-(sec-butylthio)-1H-pyrimidin-4-one

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 cruzi DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Trypanosoma brucei unspecified product 0.0019 0.0138 0.0132
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0137 0.3842 0.6461
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0037 0.0699 0.0643
Mycobacterium tuberculosis Probable oxidoreductase 0.0119 0.3277 1
Mycobacterium tuberculosis Probable reductase 0.0107 0.2903 0.8837
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0083 0.2138 0.3001
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0016 0.0066 0.0006
Entamoeba histolytica hypothetical protein 0.0037 0.0699 0.0594
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0558 0.0582
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0385 0.0556
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0027 0.0385 0.0327
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0137 0.3842 0.6461
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.0321 0.9585 1
Echinococcus granulosus GTP binding nuclear protein Ran 0.0021 0.0211 0.0151
Loa Loa (eye worm) hypothetical protein 0.0067 0.1646 0.1717
Brugia malayi Synaptic glycoprotein SC2 0.0067 0.1646 0.1717
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.0321 0.9585 0.9583
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0138 0.0132
Plasmodium vivax phosphoglycerate kinase, putative 0.0083 0.2138 0.2181
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0278 0.0228
Plasmodium vivax thioredoxin reductase, putative 0.0047 0.102 0.1008
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0027 0.0385 0.0327
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0024 0.0291 0.0242
Brugia malayi PAS domain containing protein 0.0055 0.1258 0.1313
Brugia malayi intermediate filament protein 0.0027 0.0389 0.0406
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1011 0.0956
Plasmodium falciparum polyprenol reductase, putative 0.0067 0.1646 0.1665
Echinococcus granulosus methionine synthase reductase 0.0016 0.0066 0.0006
Toxoplasma gondii hypothetical protein 0.0083 0.2153 0.3022
Leishmania major DNA polymerase eta, putative 0.0043 0.0912 0.1455
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0083 0.2138 0.355
Mycobacterium ulcerans putative regulatory protein 0.004 0.0815 0.1289
Treponema pallidum phosphoglycerate kinase 0.0083 0.2138 1
Schistosoma mansoni ran 0.0021 0.0211 0.0151
Loa Loa (eye worm) hypothetical protein 0.0067 0.1646 0.1717
Brugia malayi Phosphoglycerate kinase 0.003 0.0501 0.0522
Mycobacterium ulcerans phosphoglycerate kinase 0.0083 0.2138 0.355
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0019 0.0138 0.0078
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0083 0.2153 0.3575
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0027 0.0385 0.0556
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.2733 0.2851
Schistosoma mansoni lamin 0.0027 0.0389 0.0331
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0083 0.2153 0.3575
Loa Loa (eye worm) hypothetical protein 0.0056 0.1318 0.1375
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3488 0.3448
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0137 0.3842 0.6461
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0072 0.0076
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0019 0.0138 0.0132
Onchocerca volvulus 0.004 0.0815 0.0998
Loa Loa (eye worm) RNA binding protein 0.0126 0.3488 0.3639
Schistosoma mansoni hypothetical protein 0.0334 1 1
Plasmodium vivax glutathione reductase, putative 0.0047 0.102 0.1008
Chlamydia trachomatis phosphoglycerate kinase 0.0083 0.2138 1
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.1646 0.1665
Echinococcus granulosus thioredoxin glutathione reductase 0.0047 0.102 0.0966
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1011 0.0956
Echinococcus multilocularis tar DNA binding protein 0.0126 0.3488 0.3448
Leishmania major cytochrome p450-like protein 0.0017 0.0072 0.0021
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0137 0.3842 0.4008
Echinococcus granulosus snurportin 1 0.0306 0.9116 0.911
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Schistosoma mansoni hypothetical protein 0.0032 0.0558 0.0501
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0102 0.2739 0.2695
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Loa Loa (eye worm) hypothetical protein 0.0026 0.0374 0.039
Brugia malayi FAD binding domain containing protein 0.0016 0.0066 0.0069
Echinococcus multilocularis dna polymerase kappa 0.0019 0.0138 0.0078
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0232 0.6821 0.7117
Entamoeba histolytica hypothetical protein 0.0037 0.0699 0.0594
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0138 0.0132
Brugia malayi hypothetical protein 0.0037 0.0699 0.0729
Loa Loa (eye worm) GTP-binding nuclear protein RAN/TC4 0.0021 0.0211 0.022
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0067 0.1646 0.271
Brugia malayi Importin beta-1 subunit 0.0029 0.0447 0.0466
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0027 0.0385 0.0556
Giardia lamblia Hypothetical protein 0.0024 0.0291 0.0242
Trypanosoma brucei DNA polymerase eta, putative 0.0043 0.0912 0.1455
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0083 0.2153 0.2197
Loa Loa (eye worm) hypothetical protein 0.0083 0.2138 0.223
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 0.0385 0.0556
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0238 0.6984 0.7269
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0067 0.1646 0.2291
Plasmodium vivax prenyltransferase alpha subunit, putative 0.0321 0.9585 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0047 0.102 0.2985
Brugia malayi GTP-binding nuclear protein RAN/TC4 0.0021 0.0211 0.022
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0119 0.3277 1
Loa Loa (eye worm) hypothetical protein 0.0183 0.5278 0.5506
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0027 0.0385 0.0327
Trichomonas vaginalis sulfite reductase, putative 0.0027 0.0385 0.0341
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0083 0.2153 0.2105
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0107 0.2903 0.8837
Trichomonas vaginalis Importin beta-1 subunit, putative 0.0023 0.0278 0.0228
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0019 0.0138 0.0081
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0027 0.0385 0.0556
Echinococcus multilocularis GPCR, family 2 0.0032 0.0558 0.0501
Trypanosoma brucei phosphoglycerate kinase 0.0083 0.2138 0.355
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Echinococcus multilocularis lamin 0.0027 0.0389 0.0331
Loa Loa (eye worm) FAD binding domain-containing protein 0.0016 0.0066 0.0069
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0558 0.0582
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0138 0.0132
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0211 0.0257
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0067 0.1646 0.1665
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0083 0.2138 0.2181
Toxoplasma gondii thioredoxin reductase 0.0047 0.102 0.1387
Schistosoma mansoni hypothetical protein 0.007 0.1726 0.1676
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.006 0.0063
Schistosoma mansoni hypothetical protein 0.0032 0.0558 0.0501
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0067 0.1646 0.1665
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3488 0.3448
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0045 0.0944 0.151
Schistosoma mansoni single-minded 0.0055 0.1258 0.1205
Brugia malayi hypoxia-induced factor 1 0.0169 0.4834 0.5044
Onchocerca volvulus 0.0067 0.1646 0.2948
Leishmania major GTP-binding protein, putative 0.0021 0.0211 0.0257
Schistosoma mansoni transcription factor LCR-F1 0.0037 0.0699 0.0643
Echinococcus multilocularis lamin dm0 0.0027 0.0389 0.0331
Echinococcus multilocularis GTP binding nuclear protein Ran 0.0021 0.0211 0.0151
Leishmania major phosphoglycerate kinase B, cytosolic 0.0083 0.2138 0.355
Schistosoma mansoni hypothetical protein 0.0037 0.0699 0.0643
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0137 0.3842 0.6461
Giardia lamblia Phosphoglycerate kinase 0.0083 0.2138 0.2181
Schistosoma mansoni terminal deoxycytidyl transferase 0.0019 0.0138 0.0078
Plasmodium vivax flavodoxin domain containing protein 0.0024 0.0291 0.0242
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0083 0.2138 1
Brugia malayi hypothetical protein 0.0183 0.5278 0.5506
Brugia malayi ImpB/MucB/SamB family protein 0.0019 0.0138 0.0144
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Entamoeba histolytica hypothetical protein 0.0037 0.0699 0.0594
Brugia malayi 3-oxo-5-alpha-steroid 4-dehydrogenase 1 0.0203 0.5913 0.6169
Plasmodium falciparum glutathione reductase 0.0047 0.102 0.1008
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Trichomonas vaginalis ran, putative 0.0021 0.0211 0.0158
Schistosoma mansoni phosphoglycerate kinase 0.0083 0.2138 0.209
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0558 0.0501
Leishmania major cytochrome P450 reductase, putative 0.0024 0.0291 0.0394
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0067 0.1646 0.1596
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3488 0.3448
Echinococcus granulosus dna polymerase eta 0.0043 0.0912 0.0857
Trypanosoma brucei hypothetical protein, conserved 0.0083 0.2153 0.3575
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0019 0.0138 0.0144
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0031 0.0507 0.0646
Mycobacterium tuberculosis Conserved hypothetical protein 0.0019 0.0138 0.0241
Trypanosoma brucei phosphoglycerate kinase, putative 0.003 0.0501 0.0752
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0027 0.0385 0.0556
Plasmodium falciparum importin beta, putative 0.0029 0.0447 0.0406
Echinococcus granulosus Niemann Pick C1 protein 0.0056 0.1318 0.1265
Echinococcus multilocularis thioredoxin glutathione reductase 0.0047 0.102 0.0966
Trypanosoma cruzi trypanothione reductase, putative 0.0047 0.102 0.164
Mycobacterium ulcerans DNA polymerase IV 0.0019 0.0138 0.0132
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0203 0.5913 0.6145
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1011 0.0956
Entamoeba histolytica 3-oxo-5-alpha-steroid 4-dehydrogenase domain-containing protein 0.0067 0.1646 0.1597
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0321 0.9585 1
Brugia malayi Thioredoxin reductase 0.0047 0.102 0.1064
Loa Loa (eye worm) hypothetical protein 0.0163 0.4654 0.4855
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.0321 0.9585 1
Loa Loa (eye worm) nucleolar RNA-associated protein alpha 0.0306 0.9116 0.951
Schistosoma mansoni DNA polymerase eta 0.0043 0.0912 0.0857
Echinococcus granulosus dna polymerase kappa 0.0019 0.0138 0.0078
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0027 0.0385 0.0341
Toxoplasma gondii HEAT repeat-containing protein 0.0029 0.0447 0.0559
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3488 0.3448
Plasmodium vivax polyprenol reductase, putative 0.0067 0.1646 0.1665
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0083 0.2153 0.3575
Onchocerca volvulus Bile acid receptor homolog 0.0163 0.4654 1
Echinococcus granulosus sterol regulatory element binding protein 0.0056 0.1318 0.1265
Leishmania major p450 reductase, putative 0.0027 0.0385 0.0556
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.0321 0.9585 0.9583
Loa Loa (eye worm) hypothetical protein 0.0027 0.0389 0.0406
Giardia lamblia DINP protein human, muc B family 0.0019 0.0138 0.0081
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.3488 0.3639
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0083 0.2153 0.3575
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0119 0.3277 1
Echinococcus multilocularis musashi 0.0027 0.0389 0.0331
Echinococcus granulosus GPCR family 2 0.0032 0.0558 0.0501
Echinococcus multilocularis 3 oxo 5 alpha steroid 4 dehydrogenase, C terminal 0.0067 0.1646 0.1596
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0083 0.2153 0.2133
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0447 0.0661
Echinococcus granulosus tar DNA binding protein 0.0126 0.3488 0.3448
Brugia malayi Cytochrome P450 family protein 0.0017 0.0072 0.0076
Brugia malayi ecdysteroid receptor 0.0163 0.4654 0.4855
Loa Loa (eye worm) hypothetical protein 0.0029 0.0447 0.0466
Plasmodium falciparum phosphoglycerate kinase 0.0083 0.2138 0.2181
Giardia lamblia Nitric oxide synthase, inducible 0.0024 0.0291 0.0242
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0083 0.2153 0.2105
Brugia malayi Cytochrome P450 family protein 0.0017 0.0072 0.0076
Loa Loa (eye worm) hypothetical protein 0.0032 0.0558 0.0582
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0321 0.9585 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.0912 0.0951
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0203 0.5913 1
Echinococcus multilocularis phosphoglycerate kinase 1 0.0083 0.2138 0.209
Giardia lamblia GTP-binding nuclear protein RAN/TC4 0.0021 0.0211 0.0158
Trypanosoma cruzi DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Trypanosoma cruzi GTP-binding nuclear protein rtb2, putative 0.0021 0.0211 0.0257
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0137 0.3842 0.3805
Brugia malayi FAD binding domain containing protein 0.0027 0.0385 0.0402
Trypanosoma brucei importin beta-1 subunit, putative 0.0029 0.0447 0.0661
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0056 0.1318 0.1375
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0107 0.2903 0.8837
Chlamydia trachomatis sulfite reductase 0.0016 0.0066 0.0029
Plasmodium vivax 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0067 0.1646 0.1665
Trypanosoma brucei phosphoglycerate kinase 0.003 0.0501 0.0752
Echinococcus multilocularis methionine synthase reductase 0.0016 0.0066 0.0006
Trypanosoma cruzi p450 reductase, putative 0.0027 0.0385 0.0556
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0064 0.1564 0.1579
Echinococcus multilocularis protein patched 0.0056 0.1318 0.1265
Brugia malayi RNA binding protein 0.0126 0.3488 0.3639
Schistosoma mansoni ran 0.0021 0.0211 0.0151
Loa Loa (eye worm) cytochrome P450 family protein 0.0017 0.0072 0.0076
Loa Loa (eye worm) hypoxia-induced factor 1 0.0169 0.4834 0.5044
Trichomonas vaginalis synaptic glycoprotein sc2, putative 0.0067 0.1646 0.1665
Leishmania major DNA polymerase eta, putative 0.0031 0.0507 0.0764
Brugia malayi bHLH-PAS transcription factor 0.004 0.0815 0.085
Mycobacterium ulcerans hypothetical protein 0.0203 0.5913 1
Schistosoma mansoni lamin 0.0027 0.0389 0.0331
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0083 0.2153 0.2197
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0083 0.2153 0.2246
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0083 0.2153 0.2105
Toxoplasma gondii GTP-binding nuclear protein ran/tc4 0.0021 0.0211 0.0217
Entamoeba histolytica trans-2,3-enoyl-CoA reductase, putative 0.0067 0.1646 0.1597
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.003 0.0501 0.0752
Brugia malayi glutathione reductase 0.0047 0.102 0.1064
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.3488 0.3639
Loa Loa (eye worm) intermediate filament protein 0.0027 0.0389 0.0406
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.0321 0.9585 0.9583
Toxoplasma gondii hypothetical protein 0.0238 0.6984 1
Plasmodium falciparum thioredoxin reductase 0.0047 0.102 0.1008
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Schistosoma mansoni cytochrome P450 reductase 0.0027 0.0385 0.0327
Echinococcus granulosus 3 oxo 5 alpha steroid 4 dehydrogenase C terminal 0.0067 0.1646 0.1596
Echinococcus granulosus synaptic glycoprotein sc2 0.0067 0.1646 0.1596
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0137 0.3842 0.3805
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0558 0.0501
Trypanosoma brucei cytochrome P450, putative 0.0017 0.0072 0.0021
Loa Loa (eye worm) CYP4Cod1 0.0017 0.0072 0.0076
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0067 0.1646 0.2291
Giardia lamblia Synaptic glycoprotein SC2 0.0067 0.1646 0.1665
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0321 0.9585 1
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0083 0.2138 0.3001
Schistosoma mansoni aryl hydrocarbon receptor 0.0055 0.1258 0.1205
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0064 0.1564 0.1579
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0045 0.0944 0.151
Brugia malayi flavodoxin family protein 0.0027 0.0385 0.0402
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0083 0.2153 0.2246
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0064 0.1564 0.1579
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0019 0.0138 0.0078
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Entamoeba histolytica steroid 5-alpha reductase, putative 0.0203 0.5913 0.6113
Loa Loa (eye worm) FAD binding domain-containing protein 0.0027 0.0385 0.0402
Leishmania major DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Trypanosoma cruzi DNA polymerase eta, putative 0.0043 0.0912 0.1455
Loa Loa (eye worm) hypothetical protein 0.0137 0.3842 0.4008
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0045 0.0944 0.151
Giardia lamblia Rab geranylgeranyltransferase 0.0083 0.2153 0.2197
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0137 0.3842 0.6461
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Schistosoma mansoni importin beta-1 0.0029 0.0447 0.0389
Trypanosoma cruzi DNA polymerase eta, putative 0.0031 0.0507 0.0764
Trichomonas vaginalis DNA polymerase eta, putative 0.0019 0.0138 0.0081
Trypanosoma brucei phosphoglycerate kinase 0.0083 0.2138 0.355
Trichomonas vaginalis conserved hypothetical protein 0.0067 0.1646 0.1665
Echinococcus multilocularis dna polymerase eta 0.0043 0.0912 0.0857
Loa Loa (eye worm) TAR-binding protein 0.0126 0.3488 0.3639
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0321 0.9585 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0107 0.2903 0.8837
Leishmania major trypanothione reductase 0.0047 0.102 0.164
Echinococcus granulosus importin subunit beta 1 0.0029 0.0447 0.0389
Echinococcus granulosus single minded 2 0.004 0.0815 0.0759
Entamoeba histolytica hypothetical protein 0.0023 0.0278 0.0148
Plasmodium vivax importin-beta 2, putative 0.0029 0.0447 0.0406
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0203 0.5913 0.6145
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.1011 0.1055
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0056 0.1318 0.1265
Echinococcus granulosus phosphoglycerate kinase 1 0.0083 0.2138 0.209
Trichomonas vaginalis conserved hypothetical protein 0.0056 0.1318 0.132
Trypanosoma brucei 3-oxo-5-alpha-steroid 4-dehydrogenase-like, putative 0.0203 0.5913 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.003 0.0501 0.0752
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.2153 0.3575
Echinococcus granulosus intermediate filament protein 0.0027 0.0389 0.0331
Schistosoma mansoni patched 1 0.0056 0.1318 0.1265
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.1726 0.1801
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0107 0.2903 0.6716
Brugia malayi TAR-binding protein 0.0126 0.3488 0.3639
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0072 0.0021
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0027 0.0385 0.0556
Leishmania major 3-oxo-5-alpha-steroid 4-dehydrogenase-like protein 0.0203 0.5913 1
Brugia malayi RNA, U transporter 1 0.0081 0.2099 0.219
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0083 0.2138 0.2181
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0083 0.2153 0.3575
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.1011 0.1055
Schistosoma mansoni hypothetical protein 0.0306 0.9116 0.911
Plasmodium falciparum nitric oxide synthase, putative 0.0027 0.0385 0.0341
Brugia malayi ImpB/MucB/SamB family protein 0.0043 0.0912 0.0951
Schistosoma mansoni hypothetical protein 0.0032 0.0558 0.0501
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0027 0.0385 0.0556
Echinococcus granulosus lamin 0.0027 0.0389 0.0331
Loa Loa (eye worm) hypothetical protein 0.007 0.1726 0.1801
Loa Loa (eye worm) glutathione reductase 0.0047 0.102 0.1064
Trichomonas vaginalis importin beta-1, putative 0.0023 0.0278 0.0228
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0083 0.2138 0.6459
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0558 0.0501
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0027 0.0385 0.0556
Entamoeba histolytica hypothetical protein 0.0067 0.1646 0.1597
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0017 0.0072 0.0021
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0083 0.2138 0.355
Schistosoma mansoni hypothetical protein 0.0334 1 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.003 0.0501 0.0752
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1011 0.0956
Plasmodium vivax GTP-binding nuclear protein RAN/TC4, putative 0.0021 0.0211 0.0158
Schistosoma mansoni hypothetical protein 0.0032 0.0558 0.0501
Trypanosoma brucei GTP-binding nuclear protein rtb2, putative 0.0021 0.0211 0.0257
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0558 0.0582
Echinococcus multilocularis snurportin 1 0.0306 0.9116 0.911
Echinococcus multilocularis synaptic glycoprotein sc2 0.0067 0.1646 0.1596
Brugia malayi follicle stimulating hormone receptor 0.0232 0.6821 0.7117
Entamoeba histolytica hypothetical protein 0.0037 0.0699 0.0594
Loa Loa (eye worm) hypothetical protein 0.0321 0.9585 1
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0203 0.5913 0.6145
Mycobacterium tuberculosis Probable dehydrogenase 0.0107 0.2903 0.8837
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.1011 0.0956
Schistosoma mansoni synaptic glycoprotein sc2 related 0.0067 0.1646 0.1596
Trypanosoma cruzi importin beta-1 subunit, putative 0.0023 0.0278 0.0371
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.1011 0.0956
Leishmania major importin beta-1 subunit, putative 0.0023 0.0278 0.0371
Giardia lamblia Rab geranylgeranyltransferase 0.0321 0.9585 1
Trypanosoma brucei trypanothione reductase 0.0047 0.102 0.164
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0137 0.3842 0.3805
Loa Loa (eye worm) thioredoxin reductase 0.0047 0.102 0.1064
Plasmodium falciparum 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0067 0.1646 0.1665
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0321 0.9585 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0037 0.0699 0.0643
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0107 0.2903 0.8837
Plasmodium falciparum GTP-binding nuclear protein RAN/TC4 0.0021 0.0211 0.0158
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0083 0.2153 0.2197
Trypanosoma cruzi hypothetical protein, conserved 0.0083 0.2153 0.3575
Onchocerca volvulus 0.0083 0.2153 0.4135
Schistosoma mansoni intermediate filament proteins 0.0027 0.0389 0.0331
Echinococcus multilocularis importin subunit beta 1 0.0029 0.0447 0.0389
Trichomonas vaginalis 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0067 0.1646 0.1665
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0067 0.1646 0.271
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0558 0.0501
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0083 0.2153 0.2105
Echinococcus multilocularis transfer RNA-Lys 0.004 0.0815 0.0759
Toxoplasma gondii 3-oxo-5-alpha-steroid 4-dehydrogenase 0.0203 0.5913 0.8454
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0083 0.2153 0.3575
Trypanosoma cruzi 3-oxo-5-alpha-steroid 4-dehydrogenase, putative 0.0203 0.5913 1
Trypanosoma brucei DNA polymerase IV, putative 0.0019 0.0138 0.0132
Loa Loa (eye worm) hypothetical protein 0.0027 0.0385 0.0402
Trypanosoma brucei DNA polymerase kappa, putative 0.0019 0.0138 0.0132
Loa Loa (eye worm) hypothetical protein 0.0102 0.2733 0.2851
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.2733 0.2851
Brugia malayi Intermediate filament tail domain containing protein 0.0027 0.0389 0.0406
Schistosoma mansoni tar DNA-binding protein 0.0126 0.3488 0.3448
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.2733 0.2851
Leishmania major phosphoglycerate kinase C, glycosomal 0.0083 0.2138 0.355
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0027 0.0389 0.0406
Entamoeba histolytica phosphoglycerate kinase, putative 0.0083 0.2138 0.2117
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0083 0.2153 0.3575
Loa Loa (eye worm) hypothetical protein 0.0203 0.5913 0.6169
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0027 0.0385 0.0327
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0019 0.0138 0.0241
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.1011 0.0956
Brugia malayi CHE-14 protein 0.0056 0.1318 0.1375
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0064 0.1564 0.1579
Echinococcus granulosus lamin dm0 0.0027 0.0389 0.0331
Echinococcus multilocularis Niemann Pick C1 protein 0.0056 0.1318 0.1265
Schistosoma mansoni phosphoglycerate kinase 0.0083 0.2138 0.209
Echinococcus multilocularis geminin 0.0334 1 1
Echinococcus multilocularis protein dispatched 1 0.0056 0.1318 0.1265
Brugia malayi Phosphoglycerate kinase 0.0083 0.2138 0.223
Entamoeba histolytica Ran family GTPase 0.0021 0.0211 0.0077
Echinococcus granulosus Protein patched homolog 1 0.0056 0.1318 0.1265
Trypanosoma cruzi cytochrome P450, putative 0.0017 0.0072 0.0021
Echinococcus multilocularis sterol regulatory element binding protein 0.0056 0.1318 0.1265
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0119 0.3277 1

Activities

Activity type Activity value Assay description Source Reference
CC50 (functional) > 300 uM Dose required to reduce the viablity of mock-infected cells by 50% ChEMBL. 9154967
CC50 (functional) > 300 uM Dose required to reduce the viablity of mock-infected cells by 50% ChEMBL. 9154967
EC50 (functional) = 52 uM Dose required to achieve 50% protection of MT-4 cells from the HIV-1 induced cytopathogenicity in mock-infected MT-4 cells ChEMBL. 9154967
EC50 (functional) = 52 uM Dose required to achieve 50% protection of MT-4 cells from the HIV-1 induced cytopathogenicity in mock-infected MT-4 cells ChEMBL. 9154967
Ratio (functional) > 6 Selectivity index is the ratio of CC50 to EC50 ChEMBL. 9154967
Ratio (functional) > 6 Selectivity index is the ratio of CC50 to EC50 ChEMBL. 9154967

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.