Detailed information for compound 1697889

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 700.46 | Formula: C26H28F3IO9S
  • H donors: 1 H acceptors: 4 LogP: 4.99 Rotable bonds: 14
    Rule of 5 violations (Lipinski): 2
  • SMILES: C=CCO[C@H]1[C@H](O)[C@H](COS(=O)(=O)c2cccc(c2)C(F)(F)F)O[C@@H]([C@@H]1OC(=O)CCC)Oc1ccc(cc1)I
  • InChi: 1S/C26H28F3IO9S/c1-3-6-21(31)39-24-23(35-13-4-2)22(32)20(38-25(24)37-18-11-9-17(30)10-12-18)15-36-40(33,34)19-8-5-7-16(14-19)26(27,28)29/h4-5,7-12,14,20,22-25,32H,2-3,6,13,15H2,1H3/t20-,22+,23-,24+,25-/m0/s1
  • InChiKey: ATHHTQPXSUGXIO-LSYLRQOFSA-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
Schistosoma mansoni aldo-keto reductase 0.0049 0.0356 0.0365
Trichomonas vaginalis conserved hypothetical protein 0.0321 0.3345 1
Brugia malayi Peroxidasin 0.0043 0.028 0.026
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Echinococcus granulosus heat shock protein 90 0.0147 0.1425 0.1425
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0032 0.0162 0.0095
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Trypanosoma cruzi heat shock protein 85, putative 0.0147 0.1425 0.1397
Toxoplasma gondii heat shock protein 90, putative 0.0147 0.1425 0.1397
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0049 0.0356 0.0356
Trypanosoma cruzi heat shock protein 90, putative 0.0147 0.1425 0.1397
Mycobacterium ulcerans carbamoyl phosphate synthase large subunit 0.0037 0.0218 0.0109
Onchocerca volvulus 0.0049 0.0356 0.0304
Trypanosoma cruzi heat shock protein 85, putative 0.0117 0.1096 0.104
Trichomonas vaginalis histone deacetylase, putative 0.0157 0.1543 0.4378
Loa Loa (eye worm) histone deacetylase 7A 0.016 0.1569 0.2064
Trichomonas vaginalis histone deacetylase, putative 0.0157 0.1543 0.4378
Wolbachia endosymbiont of Brugia malayi carbamoyl phosphate synthase large subunit 0.0037 0.0218 0.0278
Echinococcus multilocularis histone deacetylase 6 0.0163 0.1606 0.1606
Trypanosoma brucei heat shock protein, putative 0.0147 0.1425 0.1397
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Loa Loa (eye worm) animal heme peroxidase 0.0043 0.028 0.026
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0032 0.0162 0.007
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Trypanosoma brucei heat shock protein, putative 0.0147 0.1425 0.1397
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Onchocerca volvulus 0.0675 0.7239 1
Loa Loa (eye worm) hypothetical protein 0.008 0.0696 0.0841
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Leishmania major carbamoyl-phosphate synthase, putative 0.0037 0.0218 0.0084
Trichomonas vaginalis heat shock protein, putative 0.009 0.0801 0.2063
Trypanosoma cruzi histone deacetylase, putative 0.016 0.1569 0.1554
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0032 0.0162 0.0162
Giardia lamblia Aldose reductase 0.0049 0.0356 0.1537
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase 0.0866 0.9335 1
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Schistosoma mansoni cathepsin D (A01 family) 0.0154 0.1501 0.1969
Schistosoma mansoni heat shock protein 0.006 0.0472 0.0529
Trypanosoma brucei heat shock protein 84, putative 0.006 0.0472 0.0362
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.012 0.1131 0.1396
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Echinococcus granulosus potassium voltage gated channel protein 0.0026 0.0095 0.0095
Trichomonas vaginalis heat shock protein, putative 0.0117 0.1096 0.2984
Echinococcus multilocularis potassium voltage gated channel subfamily C 0.0026 0.0095 0.0095
Schistosoma mansoni histone deacetylase hda2 0.0083 0.0722 0.0878
Loa Loa (eye worm) animal heme peroxidase 0.0043 0.028 0.026
Loa Loa (eye worm) heat shock protein 90 0.0147 0.1425 0.1862
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Onchocerca volvulus Chorion peroxidase homolog 0.0043 0.028 0.0198
Mycobacterium tuberculosis Probable bifunctional purine biosynthesis protein PurH: phosphoribosylaminoimidazolecarboxamide formyltransferase (AICAR transfo 0.0284 0.2937 0.3939
Toxoplasma gondii carbamoylphosphate synthetase 0.0037 0.0218 0.0084
Brugia malayi Cyclic-nucleotide gated cation channel 0.0032 0.0162 0.0095
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0032 0.0162 0.0095
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0049 0.0356 0.0673
Schistosoma mansoni apoptosis regulator bax 0.0074 0.0625 0.0742
Echinococcus multilocularis heat shock protein 0.0147 0.1425 0.1425
Plasmodium vivax histone deacetylase 2, putative 0.016 0.1569 0.1554
Echinococcus granulosus aldehyde reductase 0.0035 0.0198 0.0198
Brugia malayi Animal haem peroxidase family protein 0.0043 0.028 0.026
Echinococcus granulosus voltage gated potassium channel 0.0026 0.0095 0.0095
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0157 0.1543 0.4378
Giardia lamblia Grp94/Hsp90 0.0117 0.1096 0.6815
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Plasmodium falciparum heat shock protein 90, putative 0.006 0.0472 0.0362
Brugia malayi heat shock protein 90 0.0147 0.1425 0.1862
Loa Loa (eye worm) hypothetical protein 0.0077 0.0659 0.0789
Echinococcus multilocularis aldehyde reductase 0.0035 0.0198 0.0198
Echinococcus multilocularis endoplasmin 0.0117 0.1096 0.1096
Brugia malayi DNA topoisomerase II, alpha isozyme 0.003 0.014 0.0063
Trypanosoma cruzi heat shock protein, putative 0.006 0.0472 0.0362
Loa Loa (eye worm) histone deacetylase 1 0.0157 0.1543 0.2027
Mycobacterium tuberculosis Probable oxidoreductase 0.0049 0.0356 0.0304
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0041 0.0259 0.023
Leishmania major prostaglandin f synthase, putative 0.0049 0.0356 0.0235
Loa Loa (eye worm) oxidoreductase 0.0049 0.0356 0.0365
Trichomonas vaginalis aldo/keto reductase, putative 0.0049 0.0356 0.0673
Trypanosoma cruzi histone deacetylase, putative 0.0083 0.0722 0.0633
Trypanosoma brucei histone deacetylase 2 0.0083 0.0722 0.0633
Echinococcus granulosus heat shock protein 90 0.0117 0.1096 0.1096
Plasmodium vivax endoplasmin, putative 0.0147 0.1425 0.1397
Loa Loa (eye worm) hypothetical protein 0.0049 0.0356 0.0365
Echinococcus granulosus heat shock protein heat shock protein 90 alpha 0.0117 0.1096 0.1096
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.003 0.014 0.014
Schistosoma mansoni cathepsin D (A01 family) 0.0154 0.1501 0.1969
Echinococcus granulosus Bcl 2 ous antagonist:killer 0.0074 0.0625 0.0625
Mycobacterium ulcerans oxidoreductase 0.0049 0.0356 0.0304
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Toxoplasma gondii histone deacetylase HDAC4 0.0178 0.1768 0.1771
Schistosoma mansoni hypothetical protein 0.0074 0.0625 0.0742
Schistosoma mansoni heat shock protein 0.0147 0.1425 0.1862
Trypanosoma brucei histone deacetylase, putative 0.016 0.1569 0.1554
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0032 0.0162 0.0162
Plasmodium falciparum heat shock protein 90 0.0147 0.1425 0.1397
Echinococcus granulosus histone deacetylase 6 0.016 0.1569 0.1569
Echinococcus multilocularis shaker cognate 0.0026 0.0095 0.0095
Loa Loa (eye worm) oxidoreductase 0.0049 0.0356 0.0365
Echinococcus multilocularis potassium voltage gated channel protein 0.0211 0.213 0.213
Trypanosoma cruzi histone deacetylase, putative 0.016 0.1569 0.1554
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0049 0.0356 0.0365
Loa Loa (eye worm) oxidoreductase 0.0049 0.0356 0.0365
Trypanosoma cruzi histone deacetylase, putative 0.0083 0.0722 0.0633
Echinococcus granulosus nuclear receptor co repressor related ncor 0.0151 0.1469 0.1469
Leishmania major lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative 0.0117 0.1096 0.104
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Onchocerca volvulus Peroxidasin homolog 0.0043 0.028 0.0198
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0268 0.2764 0.3736
Echinococcus multilocularis histone deacetylase 0.016 0.1569 0.1569
Trichomonas vaginalis histone deacetylase, putative 0.0157 0.1543 0.4378
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Schistosoma mansoni hypothetical protein 0.0085 0.0746 0.0911
Brugia malayi histone deacetylase 3 (HD3) 0.0157 0.1543 0.2027
Plasmodium falciparum histone deacetylase 2 0.016 0.1569 0.1554
Loa Loa (eye worm) dihydrofolate reductase 0.042 0.4428 0.6065
Giardia lamblia Heat shock protein HSP 90-alpha 0.0147 0.1425 0.9157
Echinococcus granulosus potassium voltage gated channel subfamily C 0.0026 0.0095 0.0095
Loa Loa (eye worm) heat shock protein 75 0.006 0.0472 0.0529
Echinococcus granulosus thymidylate synthase 0.0675 0.7239 0.7239
Brugia malayi histone deacetylase 11 0.0178 0.1768 0.2342
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Loa Loa (eye worm) AGC/DMPK/ROCK protein kinase 0.0271 0.2795 0.378
Trypanosoma brucei Heat shock protein 83, putative 0.0147 0.1425 0.1397
Plasmodium vivax heat shock protein, putative 0.006 0.0472 0.0362
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Echinococcus granulosus hypothetical protein 0.0049 0.0356 0.0356
Plasmodium falciparum histone deacetylase, putative 0.016 0.1569 0.1554
Trypanosoma brucei histone deacetylase 4 0.016 0.1569 0.1554
Plasmodium falciparum endoplasmin, putative 0.009 0.0801 0.0719
Brugia malayi Animal haem peroxidase family protein 0.0043 0.028 0.026
Brugia malayi Endoplasmin precursor 0.0147 0.1425 0.1862
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0032 0.0162 0.0162
Trypanosoma brucei heat shock protein, putative 0.0147 0.1425 0.1397
Loa Loa (eye worm) hypothetical protein 0.0041 0.0259 0.023
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.0063
Echinococcus granulosus histone deacetylase 3 0.0157 0.1543 0.1543
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0085 0.0746 0.0911
Entamoeba histolytica 90 kDa heat shock protein, putative 0.006 0.0472 0.237
Trypanosoma brucei heat shock protein, putative 0.0147 0.1425 0.1397
Schistosoma mansoni voltage-gated potassium channel 0.0117 0.1103 0.1411
Onchocerca volvulus 0.0087 0.0772 0.089
Trypanosoma brucei prostaglandin f synthase 0.0049 0.0356 0.0235
Brugia malayi Histone deacetylase family protein 0.016 0.1569 0.2064
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Toxoplasma gondii Hsp90 domain-containing protein 0.006 0.0472 0.0362
Echinococcus multilocularis transfer RNA-Gly 0.0026 0.0095 0.0095
Echinococcus granulosus hyperpolarization activated cyclic 0.0032 0.0162 0.0162
Echinococcus granulosus DNA topoisomerase 2 alpha 0.003 0.014 0.014
Onchocerca volvulus 0.0043 0.028 0.0198
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Toxoplasma gondii heat shock protein 75, putative 0.006 0.0472 0.0362
Schistosoma mansoni hypothetical protein 0.0184 0.183 0.2429
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Loa Loa (eye worm) histone deacetylase 11 0.0178 0.1768 0.2342
Echinococcus multilocularis heat shock protein 75 kDa, mitochondrial 0.006 0.0472 0.0472
Brugia malayi kinase, mitochondrial precursor 0.003 0.014 0.0063
Leishmania major aldo-keto reductase-like protein 0.0049 0.0356 0.0235
Schistosoma mansoni voltage-gated potassium channel 0.0211 0.213 0.2849
Brugia malayi hypothetical protein 0.0321 0.3345 0.4549
Trypanosoma brucei heat shock protein, putative 0.0147 0.1425 0.1397
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Trypanosoma brucei heat shock protein, putative 0.0147 0.1425 0.1397
Schistosoma mansoni voltage-gated potassium channel 0.0032 0.0162 0.0095
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0032 0.0162 0.0095
Echinococcus multilocularis histone deacetylase 6 0.016 0.1569 0.1569
Chlamydia trachomatis dihydrofolate reductase 0.042 0.4428 1
Plasmodium falciparum plasmepsin I 0.0052 0.0384 0.0266
Plasmodium vivax aspartyl proteinase, putative 0.0052 0.0384 0.0266
Schistosoma mansoni histone deacetylase 4 5 0.016 0.1569 0.2064
Echinococcus granulosus heat shock protein 75 kDa mitochondrial 0.006 0.0472 0.0472
Loa Loa (eye worm) hypothetical protein 0.0074 0.0625 0.0742
Trypanosoma cruzi dihydrofolate reductase-thymidylate synthase, putative 0.0321 0.3345 0.3486
Mycobacterium ulcerans thymidylate synthase 0.0675 0.7239 1
Echinococcus multilocularis heat shock protein 90 0.0147 0.1425 0.1425
Trichomonas vaginalis endoplasmin, putative 0.009 0.0801 0.2063
Echinococcus multilocularis Bcl 2 ous antagonist:killer 0.0074 0.0625 0.0625
Echinococcus granulosus histone deacetylase 7 0.016 0.1569 0.1569
Echinococcus multilocularis aldo keto reductase 0.0049 0.0356 0.0356
Trichomonas vaginalis aldo/keto reductase, putative 0.0049 0.0356 0.0673
Loa Loa (eye worm) hypothetical protein 0.0268 0.2764 0.3736
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0032 0.0162 0.0162
Trypanosoma cruzi aldo-keto reductase 0.0049 0.0356 0.0235
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0049 0.0356 0.0673
Leishmania major prostaglandin f2-alpha synthase/D-arabinose dehydrogenase 0.0049 0.0356 0.0235
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Trypanosoma cruzi Heat shock protein 83, putative 0.0147 0.1425 0.1397
Treponema pallidum heat shock protein 90 0.0117 0.1096 1
Plasmodium falciparum heat shock protein 90, putative 0.006 0.0472 0.0362
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Schistosoma mansoni pol-related 0.0049 0.0356 0.0365
Brugia malayi Probable DNA topoisomerase II 0.003 0.014 0.0063
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0092 0.082 0.2121
Trypanosoma brucei heat shock protein, putative 0.0147 0.1425 0.1397
Trypanosoma cruzi heat shock protein 85, putative 0.0147 0.1425 0.1397
Mycobacterium tuberculosis Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase) 0.042 0.4428 0.604
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0032 0.0162 0.0095
Echinococcus multilocularis histone deacetylase 6 0.016 0.1569 0.1569
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0052 0.0384 0.0384
Trypanosoma cruzi histone deacetylase 1, putative 0.0157 0.1543 0.1526
Trypanosoma brucei histone deacetylase 1 0.0157 0.1543 0.1526
Schistosoma mansoni dihydrofolate reductase 0.042 0.4428 0.6066
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0092 0.082 0.2121
Onchocerca volvulus 0.0049 0.0356 0.0304
Echinococcus multilocularis dihydrofolate reductase 0.042 0.4428 0.4428
Plasmodium vivax histone deacetylase 1, putative 0.0157 0.1543 0.1526
Schistosoma mansoni hypothetical protein 0.0074 0.0625 0.0742
Brugia malayi hypothetical protein 0.0043 0.028 0.026
Loa Loa (eye worm) histone deacetylase 0.016 0.1569 0.2064
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0049 0.0356 0.0356
Entamoeba histolytica heat shock protein 90, putative 0.0147 0.1425 0.9157
Loa Loa (eye worm) hypothetical protein 0.0052 0.0384 0.0405
Plasmodium falciparum carbamoyl phosphate synthetase 0.0037 0.0218 0.0084
Echinococcus granulosus histone deacetylase 6 0.0163 0.1606 0.1606
Echinococcus multilocularis hyperpolarization activated cyclic 0.0032 0.0162 0.0162
Echinococcus multilocularis histone deacetylase 3 0.0157 0.1543 0.1543
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Trichomonas vaginalis dihydrodiol dehydrogenase, putative 0.0049 0.0356 0.0673
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0259 0.023
Echinococcus granulosus hyperpolarization activated cyclic 0.0032 0.0162 0.0162
Mycobacterium leprae Probable bifunctional purine biosynthesis protein PurH : phosphoribosylaminoimidazolecarboxamide formyltransferase (aicar transf 0.0284 0.2937 0.3939
Plasmodium falciparum bifunctional dihydrofolate reductase-thymidylate synthase 0.0866 0.9335 1
Echinococcus granulosus GPCR family 2 0.0085 0.0746 0.0746
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0032 0.0162 0.007
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0032 0.0162 0.0162
Echinococcus granulosus potassium voltage gated channel protein 0.0026 0.0095 0.0095
Schistosoma mansoni peroxidasin 0.0043 0.028 0.026
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0085 0.0746 0.0746
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0049 0.0356 0.0356
Onchocerca volvulus 0.0049 0.0356 0.0304
Plasmodium vivax bifunctional dihydrofolate reductase-thymidylate synthase, putative 0.0866 0.9335 1
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0032 0.0162 0.0095
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Echinococcus multilocularis thymidylate synthase 0.0675 0.7239 0.7239
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0049 0.0356 0.0356
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Schistosoma mansoni heat shock protein 0.0147 0.1425 0.1862
Loa Loa (eye worm) animal heme peroxidase 0.0043 0.028 0.026
Echinococcus multilocularis DNA topoisomerase 2 alpha 0.003 0.014 0.014
Echinococcus multilocularis histone deacetylase 7 0.016 0.1569 0.1569
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.0063
Schistosoma mansoni DNA topoisomerase II 0.003 0.014 0.0063
Loa Loa (eye worm) blistered cuticle protein 3 0.0043 0.028 0.026
Echinococcus granulosus Pyruvate dehydrogenase lipoamide kinase 0.003 0.014 0.014
Onchocerca volvulus Peroxidase homolog 0.0043 0.028 0.0198
Onchocerca volvulus Dual oxidase homolog 0.0043 0.028 0.0198
Loa Loa (eye worm) hypothetical protein 0.0095 0.0858 0.1068
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0157 0.1543 0.4378
Onchocerca volvulus 0.0043 0.028 0.0198
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0085 0.0746 0.0746
Toxoplasma gondii histone deacetylase HDAC1 0.016 0.1569 0.1554
Wolbachia endosymbiont of Brugia malayi AICAR transformylase/IMP cyclohydrolase PurH 0.0284 0.2937 1
Schistosoma mansoni voltage-gated potassium channel 0.0041 0.0259 0.023
Brugia malayi thymidylate synthase 0.0675 0.7239 1
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Trypanosoma brucei aldo-keto reductase, putative 0.0049 0.0356 0.0235
Plasmodium vivax carbamoyl phosphate synthetase, putative 0.0037 0.0218 0.0084
Echinococcus granulosus potassium voltage gated channel subfamily A 0.0211 0.213 0.213
Echinococcus granulosus heat shock protein 0.0147 0.1425 0.1425
Echinococcus granulosus histone deacetylase 1 0.0157 0.1543 0.1543
Schistosoma mansoni histone deacetylase 0.0157 0.1543 0.2027
Trypanosoma cruzi histone deacetylase 1, putative 0.0157 0.1543 0.1526
Entamoeba histolytica heat shock protein 90, putative 0.0147 0.1425 0.9157
Plasmodium falciparum plasmepsin II 0.0052 0.0384 0.0266
Toxoplasma gondii aldose reductase, putative 0.0049 0.0356 0.0235
Mycobacterium ulcerans bifunctional phosphoribosylaminoimidazolecarboxamide formyltransferase/IMP cyclohydrolase 0.0284 0.2937 0.3939
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0049 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0094 0.0842 0.1046
Trypanosoma brucei dihydrofolate reductase-thymidylate synthase 0.0866 0.9335 1
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0052 0.0384 0.0405
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0052 0.0384 0.0406
Trypanosoma cruzi histone deacetylase, putative 0.016 0.1569 0.1554
Echinococcus multilocularis peroxidasin 0.0043 0.028 0.028
Onchocerca volvulus Heat shock protein 75 kDa, mitochondrial homolog 0.006 0.0472 0.0468
Brugia malayi latrophilin 2 splice variant baaae 0.0184 0.183 0.2429
Brugia malayi Protein kinase domain containing protein 0.0271 0.2795 0.378
Plasmodium falciparum plasmepsin VI 0.0052 0.0384 0.0266
Brugia malayi Blistered cuticle protein 3 0.0043 0.028 0.026
Brugia malayi Latrophilin receptor protein 2 0.0085 0.0746 0.0911
Onchocerca volvulus Peroxidasin homolog 0.0043 0.028 0.0198
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Trichomonas vaginalis aldo/keto reductase, putative 0.0049 0.0356 0.0673
Loa Loa (eye worm) hypothetical protein 0.0085 0.0746 0.0911
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0109 0.1006 0.1006
Onchocerca volvulus 0.0049 0.0356 0.0304
Brugia malayi Animal haem peroxidase family protein 0.0043 0.028 0.026
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0085 0.0746 0.0746
Loa Loa (eye worm) histone deacetylase 3 0.0157 0.1543 0.2027
Plasmodium falciparum plasmepsin IV 0.0052 0.0384 0.0266
Toxoplasma gondii histone deacetylase HDAC2 0.0157 0.1543 0.1526
Mycobacterium leprae Conserved hypothetical protein 0.0035 0.0198 0.0082
Brugia malayi DNA gyrase/topoisomerase IV, A subunit family protein 0.003 0.014 0.0063
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0026 0.0095 0.0095
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0049 0.0356 0.0365
Toxoplasma gondii heat shock protein HSP90 0.0147 0.1425 0.1397
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0049 0.0356 0.0365
Brugia malayi Histone deacetylase family protein 0.016 0.1569 0.2064
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0049 0.0356 0.0356
Entamoeba histolytica aldose reductase, putative 0.0049 0.0356 0.1537
Schistosoma mansoni endoplasmin 0.0147 0.1425 0.1862
Echinococcus multilocularis nuclear receptor co repressor related (ncor) 0.0151 0.1469 0.1469
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0032 0.0162 0.0162
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0157 0.1543 0.4378
Mycobacterium leprae PROBABLE THYMIDYLATE SYNTHASE THYA (TS) (TSASE) 0.0675 0.7239 1
Loa Loa (eye worm) hypothetical protein 0.0032 0.0162 0.0095
Echinococcus multilocularis aldo keto reductase 0.0049 0.0356 0.0356
Trypanosoma brucei heat shock protein 90, putative 0.0147 0.1425 0.1397
Trichomonas vaginalis histone deacetylase, putative 0.0157 0.1543 0.4378
Schistosoma mansoni voltage-gated potassium channel 0.0211 0.213 0.2849
Loa Loa (eye worm) MH2 domain-containing protein 0.0071 0.0592 0.0696
Brugia malayi Histone deacetylase 1 0.0157 0.1543 0.2027
Echinococcus multilocularis histone deacetylase 1 0.0157 0.1543 0.1543
Mycobacterium leprae DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE) 0.042 0.4428 0.604
Plasmodium vivax heat shock protein 90, putative 0.006 0.0472 0.0362
Entamoeba histolytica aldose reductase, putative 0.0049 0.0356 0.1537
Schistosoma mansoni voltage-gated potassium channel 0.0117 0.1103 0.1411
Schistosoma mansoni histone deacetylase hda2 0.0163 0.1606 0.2116
Echinococcus multilocularis voltage gated potassium channel 0.0026 0.0095 0.0095
Plasmodium vivax histone deacetylase, putative 0.0178 0.1768 0.1771
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0041 0.0259 0.0259
Onchocerca volvulus 0.0049 0.0356 0.0304
Plasmodium vivax heat shock protein 86, putative 0.0147 0.1425 0.1397
Toxoplasma gondii aspartyl protease ASP1 0.0052 0.0384 0.0266
Mycobacterium leprae PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G) 0.0117 0.1096 0.1347
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0085 0.0746 0.0746
Giardia lamblia Aldose reductase 0.0049 0.0356 0.1537
Loa Loa (eye worm) thymidylate synthase 0.0675 0.7239 1
Schistosoma mansoni hypothetical protein 0.0085 0.0746 0.0911
Leishmania major dihydrofolate reductase-thymidylate synthase 0.0866 0.9335 1
Schistosoma mansoni aldo-keto reductase 0.0049 0.0356 0.0365
Echinococcus multilocularis aldo keto reductase 0.0049 0.0356 0.0356
Echinococcus granulosus voltage gated potassium channel 0.0041 0.0259 0.0259
Giardia lamblia Histone deacetylase 0.0157 0.1543 1
Schistosoma mansoni hypothetical protein 0.0085 0.0746 0.0911
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0041 0.0259 0.0259
Echinococcus granulosus histone deacetylase 6 0.016 0.1569 0.1569
Schistosoma mansoni aspartate carbamoyltransferase 0.0037 0.0218 0.0172
Echinococcus multilocularis potassium voltage gated channel protein 0.0026 0.0095 0.0095
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0109 0.1006 0.1006
Giardia lamblia Heat shock protein HSP 90-alpha 0.0117 0.1096 0.6815
Loa Loa (eye worm) hypothetical protein 0.0184 0.183 0.2429
Entamoeba histolytica aldose reductase, putative 0.0049 0.0356 0.1537
Toxoplasma gondii bifunctional dihydrofolate reductase-thymidylate synthase 0.0866 0.9335 1
Onchocerca volvulus 0.0049 0.0356 0.0304
Brugia malayi MH2 domain containing protein 0.0071 0.0592 0.0696
Plasmodium vivax histone deacetylase, putative 0.016 0.1569 0.1554
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0052 0.0384 0.0384
Echinococcus multilocularis voltage gated potassium channel 0.0041 0.0259 0.0259
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Brugia malayi Dihydrofolate reductase 0.042 0.4428 0.6065
Leishmania major histone deacetylase, putative 0.0157 0.1543 0.1526
Loa Loa (eye worm) TOPoisomerase family member 0.003 0.014 0.0063
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0268 0.2764 0.3736
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Schistosoma mansoni peroxidasin 0.0043 0.028 0.026
Echinococcus granulosus aldo keto reductase 0.0049 0.0356 0.0356
Echinococcus granulosus peroxidasin 0.0043 0.028 0.028
Toxoplasma gondii histone deacetylase HDAC5 0.0083 0.0722 0.0633
Trypanosoma cruzi aldo/keto reductase, putative 0.0049 0.0356 0.0235
Onchocerca volvulus 0.0087 0.077 0.0887
Brugia malayi Calcitonin receptor-like protein seb-1 0.0268 0.2764 0.3736
Mycobacterium leprae PROBABLE OXIDOREDUCTASE 0.0049 0.0356 0.0304
Mycobacterium tuberculosis Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G) 0.0117 0.1096 0.1347
Brugia malayi oxidoreductase, aldo/keto reductase family protein 0.0049 0.0356 0.0365
Echinococcus granulosus endoplasmin 0.0117 0.1096 0.1096
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Mycobacterium ulcerans heat shock protein 90 0.0117 0.1096 0.1347
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Echinococcus granulosus histone deacetylase 0.016 0.1569 0.1569
Onchocerca volvulus Peroxidase homolog 0.0043 0.028 0.0198
Schistosoma mansoni histone deacetylase 0.0157 0.1543 0.2027
Mycobacterium ulcerans dihydrofolate reductase DfrA 0.042 0.4428 0.604
Schistosoma mansoni bifunctional dihydrofolate reductase-thymidylate synthase 0.0675 0.7239 1
Entamoeba histolytica histone deacetylase, putative 0.0157 0.1543 1
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0109 0.1006 0.1276
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0032 0.0162 0.0095
Trichomonas vaginalis histone deacetylase, putative 0.0157 0.1543 0.4378
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0032 0.0162 0.0162
Brugia malayi N-terminal motif family protein 0.012 0.1131 0.145
Echinococcus granulosus dihydrofolate reductase 0.042 0.4428 0.4428
Echinococcus granulosus Potassium voltage gated channel protein Shaw 0.0026 0.0095 0.0095
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Trypanosoma brucei histone deacetylase 3 0.016 0.1569 0.1554
Echinococcus granulosus aldo keto reductase 0.0049 0.0356 0.0356
Trypanosoma cruzi heat shock protein 90, putative 0.0117 0.1096 0.104
Schistosoma mansoni bcl-2 homologous antagonist/killer (bak) 0.0074 0.0625 0.0742
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0032 0.0162 0.0095
Echinococcus granulosus rho-associated protein kinase 1 0.0087 0.0772 0.0772
Schistosoma mansoni histone deacetylase 1 2 3 0.0083 0.0722 0.0878
Echinococcus multilocularis rho associated protein kinase 0.0087 0.0772 0.0772
Trichomonas vaginalis aldo-keto reductase, putative 0.0049 0.0356 0.0673
Brugia malayi Apoptosis regulator proteins, Bcl-2 family protein 0.0074 0.0625 0.0742
Toxoplasma gondii histone deacetylase HDAC3 0.0157 0.1543 0.1526
Echinococcus multilocularis aldo keto reductase family 1, member B4 0.0049 0.0356 0.0356
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Loa Loa (eye worm) apoptosis regulator protein 0.0074 0.0625 0.0742
Schistosoma mansoni histone deacetylase 4 5 0.016 0.1569 0.2064
Trypanosoma brucei heat shock protein, putative 0.0147 0.1425 0.1397
Echinococcus multilocularis potassium voltage gated channel protein 0.0026 0.0095 0.0095
Leishmania major histone deacetylase, putative 0.016 0.1569 0.1554
Loa Loa (eye worm) hypothetical protein 0.0211 0.213 0.2848
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Echinococcus multilocularis histone deacetylase 8 0.0083 0.0722 0.0722
Echinococcus granulosus shaker cognate 0.0026 0.0095 0.0095
Schistosoma mansoni pyruvate dehydrogenase 0.003 0.014 0.0063
Leishmania major histone deacetylase, putative 0.0157 0.1543 0.1526
Loa Loa (eye worm) hypothetical protein 0.012 0.1131 0.145
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0049 0.0356 0.0356
Trypanosoma cruzi heat shock protein 85, putative 0.0147 0.1425 0.1397
Echinococcus multilocularis Pyruvate dehydrogenase (lipoamide) kinase 0.003 0.014 0.014
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Echinococcus granulosus histone deacetylase 8 0.0083 0.0722 0.0722
Loa Loa (eye worm) oxidoreductase 0.0049 0.0356 0.0365
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Mycobacterium tuberculosis Hypothetical protein 0.0321 0.3345 0.4515
Leishmania major aldehyde reductase, putative,oxidoreductase, putative 0.0049 0.0356 0.0235
Trichomonas vaginalis heat shock protein, putative 0.006 0.0472 0.1038
Echinococcus multilocularis hyperpolarization activated cyclic 0.0032 0.0162 0.0162
Leishmania major heat shock protein, putative 0.006 0.0472 0.0362
Mycobacterium tuberculosis Probable thymidylate synthase ThyA (ts) (TSASE) 0.0675 0.7239 1
Brugia malayi Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit 0.0211 0.213 0.2848
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0049 0.0356 0.0356
Echinococcus multilocularis GPCR, family 2 0.0085 0.0746 0.0746
Brugia malayi histone deacetylase 1 (HD1) 0.0157 0.1543 0.2027
Trichomonas vaginalis heat shock protein, putative 0.0117 0.1096 0.2984
Plasmodium vivax plasmepsin IV, putative 0.0052 0.0384 0.0266
Loa Loa (eye worm) hypothetical protein 0.0157 0.1543 0.2027
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0052 0.0384 0.0763
Loa Loa (eye worm) hypothetical protein 0.0083 0.0722 0.0878
Echinococcus multilocularis heat shock protein 90 0.0117 0.1096 0.1096
Loa Loa (eye worm) oxidoreductase 0.0049 0.0356 0.0365
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0026 0.0095 0.0095
Schistosoma mansoni serine/threonine protein kinase 0.0087 0.0772 0.0948
Echinococcus granulosus aldo keto reductase family 1 member B4 0.0049 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.003 0.014 0.0063
Trichomonas vaginalis heat shock protein, putative 0.0147 0.1425 0.4009
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0109 0.1006 0.1276
Echinococcus multilocularis aldo keto reductase 0.0049 0.0356 0.0356
Onchocerca volvulus Histone deacetylase 10 homolog 0.0083 0.0722 0.082
Brugia malayi Animal haem peroxidase family protein 0.0043 0.028 0.026
Trypanosoma brucei heat shock protein 90, putative 0.0147 0.1425 0.1397
Brugia malayi Animal haem peroxidase family protein 0.0043 0.028 0.026
Schistosoma mansoni endoplasmin 0.0147 0.1425 0.1862
Schistosoma mansoni hypothetical protein 0.0085 0.0746 0.0911
Loa Loa (eye worm) transcription factor SMAD2 0.0071 0.0592 0.0696
Trichomonas vaginalis histone deacetylase, putative 0.0157 0.1543 0.4378
Echinococcus multilocularis potassium voltage gated channel subfamily D 0.0026 0.0095 0.0095
Brugia malayi dihydrofolate reductase family protein 0.042 0.4428 0.6065
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Brugia malayi Hsp90 protein 0.006 0.0472 0.0529
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0052 0.0384 0.0266
Plasmodium falciparum histone deacetylase 1 0.0157 0.1543 0.1526
Schistosoma mansoni hypothetical protein 0.0074 0.0625 0.0742
Trypanosoma cruzi heat shock protein 90, putative 0.0087 0.0764 0.0678
Echinococcus granulosus potassium voltage gated channel protein 0.0211 0.213 0.213
Echinococcus granulosus aldo keto reductase 0.0049 0.0356 0.0356
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Leishmania major histone deacetylase, putative 0.016 0.1569 0.1554
Echinococcus granulosus potassium voltage gated channel subfamily D 0.0026 0.0095 0.0095
Trichomonas vaginalis heat shock protein, putative 0.0117 0.1096 0.2984
Loa Loa (eye worm) animal heme peroxidase 0.0043 0.028 0.026
Wolbachia endosymbiont of Brugia malayi heat shock protein 90 0.0117 0.1096 0.342
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Onchocerca volvulus 0.0043 0.028 0.0198
Leishmania major heat shock protein 83-1 0.0147 0.1425 0.1397
Loa Loa (eye worm) hypothetical protein 0.0043 0.028 0.026
Echinococcus multilocularis potassium voltage gated channel subfamily A 0.0202 0.2033 0.2033
Loa Loa (eye worm) endoplasmin 0.0147 0.1425 0.1862
Loa Loa (eye worm) latrophilin receptor protein 2 0.0085 0.0746 0.0911
Echinococcus multilocularis EGFP:Bcl2 fusion protein 0.0926 1 1

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 2.6 uM Cytotoxicity measured for the growth inhibition of A-431 Human epidermoid carcinoma cell line ChEMBL. 10743943
IC50 (functional) = 4 uM Cytotoxicity of compound was measured for the growth inhibition of HT-29 human colon carcinoma cell line ChEMBL. 10743943

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 10743943

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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