Detailed information for compound 1146247

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 317.336 | Formula: C17H19NO5
  • H donors: 2 H acceptors: 2 LogP: 0.72 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CO[C@@H]1C=C[C@]23[C@H](C1)N(C[C@H]2O)[C@@H](c1c3cc2OCOc2c1)O
  • InChi: 1S/C17H19NO5/c1-21-9-2-3-17-11-6-13-12(22-8-23-13)5-10(11)16(20)18(7-15(17)19)14(17)4-9/h2-3,5-6,9,14-16,19-20H,4,7-8H2,1H3/t9-,14+,15-,16-,17+/m1/s1
  • InChiKey: ZSTPNQLNQBRLQF-QLNKUFCHSA-N  


Substructure search Similarity search

Network

Hover on a compound node to display the structore

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 nuclear hormone receptor superfamily protein-related 0.0111155 0.01017 0.01017
Trypanosoma cruzi histone deacetylase, putative 0.0203615 0.0323226 0.0673292
Onchocerca volvulus Neurogenic locus notch protein homolog 0.0546939 0.11458 0.161072
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Brugia malayi Lipocalin / cytosolic fatty-acid binding protein family protein 0.0105835 0.00889534 0.00889534
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0234839 0.0398036 0.0398036
Loa Loa (eye worm) hypothetical protein 0.0124485 0.0133638 0.0133638
Onchocerca volvulus Bile acid receptor homolog 0.023564 0.0399957 0.056224
Echinococcus granulosus neurogenic locus protein delta 0.0183104 0.0274083 0.0274083
Giardia lamblia High cysteine membrane protein EGF-like 0.0135647 0.0160381 0.158698
Toxoplasma gondii histone deacetylase HDAC4 0.0203615 0.0323226 0.319833
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0111155 0.01017 0.0142965
Brugia malayi nuclear hormone receptor 0.224263 0.520855 0.520855
Brugia malayi Nuclear hormone receptor family member nhr-19 0.023564 0.0399957 0.0399957
Brugia malayi hypothetical protein 0.026466 0.0469485 0.0469485
Echinococcus multilocularis retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha 0.146677 0.334964 0.334964
Giardia lamblia High cysteine membrane protein EGF-like 0.0135647 0.0160381 0.158698
Toxoplasma gondii sushi domain (scr repeat) domain-containing protein 0.0312101 0.058315 0.577028
Schistosoma mansoni notch 0.0380809 0.0747768 0.0747768
Giardia lamblia High cysteine membrane protein EGF-like 0.0135647 0.0160381 0.158698
Loa Loa (eye worm) hypothetical protein 0.0124485 0.0133638 0.0133638
Brugia malayi gamma-secretase subunit pen-2 0.0504583 0.104432 0.104432
Plasmodium falciparum histone deacetylase 1 0.0490512 0.101061 1
Brugia malayi Nuclear hormone receptor E75 0.0111155 0.01017 0.01017
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Leishmania major histone deacetylase, putative 0.0410926 0.0819926 0.659891
Schistosoma mansoni Tr4/Tr2 (homologue) 0.023564 0.0399957 0.0399957
Trichomonas vaginalis histone deacetylase, putative 0.0490512 0.101061 0.869934
Echinococcus multilocularis gamma secretase subunit aph 1 0.424247 1 1
Loa Loa (eye worm) hypothetical protein 0.0204355 0.0325 0.0325
Loa Loa (eye worm) histone deacetylase 3 0.0490512 0.101061 0.101061
Leishmania major histone deacetylase, putative 0.0490512 0.101061 0.863958
Schistosoma mansoni fatty acid binding protein 0.0105835 0.00889534 0.00889534
Schistosoma mansoni RAR-like nuclear receptor 0.023564 0.0399957 0.0399957
Brugia malayi Nuclear hormone receptor family member nhr-1 0.023564 0.0399957 0.0399957
Brugia malayi sulfakinin receptor protein 0.0239688 0.0409655 0.0409655
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0124485 0.0133638 0.0133638
Schistosoma mansoni nuclear hormone receptor 0.0111155 0.01017 0.01017
Trypanosoma brucei histone deacetylase 3 0.0410926 0.0819926 0.199788
Brugia malayi Presenilin-like protein At2g29900 0.019268 0.0297026 0.0297026
Brugia malayi orphan nuclear receptor NR2E1 0.0111155 0.01017 0.01017
Trypanosoma cruzi Aph-1 protein, putative 0.166334 0.382061 1
Trichomonas vaginalis Nicastrin precursor, putative 0.026466 0.0469485 0.316269
Brugia malayi nuclear receptor NHR-88 0.0111155 0.01017 0.01017
Loa Loa (eye worm) hypothetical protein 0.0204355 0.0325 0.0325
Trypanosoma cruzi histone deacetylase, putative 0.0410926 0.0819926 0.199788
Loa Loa (eye worm) hypothetical protein 0.0312101 0.058315 0.058315
Loa Loa (eye worm) hypothetical protein 0.0234839 0.0398036 0.0398036
Schistosoma mansoni fatty acid binding protein 0.0105835 0.00889534 0.00889534
Loa Loa (eye worm) histone deacetylase 0.0410926 0.0819926 0.0819926
Echinococcus granulosus expressed conserved protein 0.0135647 0.0160381 0.0160381
Trypanosoma brucei histone deacetylase, putative 0.0410926 0.0819926 0.199788
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Schistosoma mansoni protein tyrosine phosphatase non-receptor type nt1 0.033671 0.0642111 0.0642111
Echinococcus granulosus slit 2 protein 0.0183104 0.0274083 0.0274083
Onchocerca volvulus 0.0312101 0.058315 0.0819764
Echinococcus multilocularis crumbs 1 0.0135647 0.0160381 0.0160381
Leishmania major histone deacetylase, putative 0.0410926 0.0819926 0.659891
Schistosoma mansoni histone deacetylase 0.0490512 0.101061 0.101061
Plasmodium vivax histone deacetylase 1, putative 0.0490512 0.101061 1
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.023564 0.0399957 0.0399957
Onchocerca volvulus Slit protein homolog 0.0183104 0.0274083 0.0385294
Echinococcus multilocularis histone deacetylase 8 0.0203615 0.0323226 0.0323226
Onchocerca volvulus Putative cubilin 0.00991914 0.00730358 0.010267
Loa Loa (eye worm) histone deacetylase 7A 0.0410926 0.0819926 0.0819926
Echinococcus multilocularis histone deacetylase 6 0.0420236 0.0842232 0.0842232
Trichomonas vaginalis histone deacetylase, putative 0.0490512 0.101061 0.869934
Onchocerca volvulus Histone deacetylase 10 homolog 0.0203615 0.0323226 0.0454375
Leishmania major histone deacetylase, putative 0.0490512 0.101061 0.863958
Loa Loa (eye worm) DR-78 0.0111155 0.01017 0.01017
Brugia malayi nuclear receptor subfamily 1, group D, member 1, putative 0.0111155 0.01017 0.01017
Brugia malayi notch-like transmembrane receptor 0.289285 0.676642 0.676642
Trichomonas vaginalis histone deacetylase, putative 0.0490512 0.101061 0.869934
Echinococcus granulosus fibrillin 1 0.0144879 0.01825 0.01825
Echinococcus multilocularis conserved hypothetical protein 0.0135647 0.0160381 0.0160381
Brugia malayi Nuclear hormone receptor family member nhr-14 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) nuclear hormone receptor-like 1 0.0124485 0.0133638 0.0133638
Echinococcus granulosus histone deacetylase 6 0.0410926 0.0819926 0.0819926
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Echinococcus multilocularis neurogenic locus notch protein 0.303773 0.711354 0.711354
Echinococcus granulosus ecdysone induced protein 78C 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.023564 0.0399957 0.0399957
Brugia malayi nuclear hormone receptor family member odr-7 0.0111155 0.01017 0.01017
Onchocerca volvulus Protein ultraspiracle homolog 0.023564 0.0399957 0.056224
Schistosoma mansoni retinoid-x-receptor (RXR) 0.023564 0.0399957 0.0399957
Giardia lamblia Hypothetical protein 0.0135647 0.0160381 0.158698
Schistosoma mansoni coup transcription factor 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0124485 0.0133638 0.0133638
Giardia lamblia High cysteine membrane protein EGF-like 0.0135647 0.0160381 0.158698
Echinococcus granulosus nuclear receptor subfamily 1 group D 0.0124485 0.0133638 0.0133638
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0111155 0.01017 0.01017
Brugia malayi Calcium binding EGF domain containing protein 0.00991914 0.00730358 0.00730358
Loa Loa (eye worm) hypothetical protein 0.0204355 0.0325 0.0325
Trypanosoma cruzi Aph-1 protein, putative 0.166334 0.382061 1
Schistosoma mansoni gamma-secretase subunit aph-1 0.424247 1 1
Loa Loa (eye worm) hypothetical protein 0.023564 0.0399957 0.0399957
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0490512 0.101061 0.869934
Brugia malayi nuclear hormone receptor 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) nuclear receptor nhr-7B 0.224263 0.520855 0.520855
Brugia malayi Nuclear hormone receptor family member nhr-25 0.023564 0.0399957 0.0399957
Echinococcus granulosus thyroid hormone receptor alpha 0.0298052 0.054949 0.054949
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.023564 0.0399957 0.0399957
Schistosoma mansoni histone deacetylase 0.0490512 0.101061 0.101061
Toxoplasma gondii hypothetical protein 0.0153568 0.0203317 0.201182
Loa Loa (eye worm) hypothetical protein 0.0135647 0.0160381 0.0160381
Trypanosoma brucei Aph-1 protein, putative 0.166334 0.382061 1
Echinococcus multilocularis expressed conserved protein 0.0135647 0.0160381 0.0160381
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.023564 0.0399957 0.0399957
Trichomonas vaginalis histone deacetylase, putative 0.0490512 0.101061 0.869934
Loa Loa (eye worm) hypothetical protein 0.023564 0.0399957 0.0399957
Giardia lamblia Notch 2, putative 0.0135647 0.0160381 0.158698
Brugia malayi Presenilin spe-4 0.019268 0.0297026 0.0297026
Entamoeba histolytica histone deacetylase, putative 0.0490512 0.101061 0.88086
Echinococcus granulosus histone deacetylase 0.0410926 0.0819926 0.0819926
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Trichomonas vaginalis histone deacetylase, putative 0.0490512 0.101061 0.869934
Echinococcus granulosus notch 0.0380809 0.0747768 0.0747768
Loa Loa (eye worm) presenilin spe-4 0.019268 0.0297026 0.0297026
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0111155 0.01017 0.01017
Schistosoma mansoni nuclear receptor nhr-48 0.0111155 0.01017 0.01017
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0543569 0.113773 1
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0183104 0.0274083 0.0274083
Echinococcus granulosus Nuclear hormone receptor HR96 0.0111155 0.01017 0.01017
Toxoplasma gondii histone deacetylase HDAC1 0.0410926 0.0819926 0.81132
Loa Loa (eye worm) hypothetical protein 0.0207311 0.0332082 0.0332082
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0490512 0.101061 0.869934
Schistosoma mansoni hepatocyte nuclear factor 4-alpha (hnf-4-alpha) 0.0111155 0.01017 0.01017
Loa Loa (eye worm) hypothetical protein 0.023564 0.0399957 0.0399957
Brugia malayi nuclear receptor RXR 0.0124485 0.0133638 0.0133638
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.023564 0.0399957 0.0399957
Brugia malayi Calcium binding EGF domain containing protein 0.0166131 0.0233417 0.0233417
Echinococcus granulosus fibrillin 2 0.0144879 0.01825 0.01825
Echinococcus multilocularis slit 2 protein 0.0183104 0.0274083 0.0274083
Brugia malayi hypothetical protein 0.0111155 0.01017 0.01017
Brugia malayi Presenilin family protein 0.0543569 0.113773 0.113773
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Schistosoma mansoni nuclear hormone receptor 0.023564 0.0399957 0.0399957
Schistosoma mansoni steroid hormone receptor ad4bp 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0203615 0.0323226 0.0323226
Loa Loa (eye worm) hypothetical protein 0.0114396 0.0109465 0.0109465
Loa Loa (eye worm) hypothetical protein 0.023564 0.0399957 0.0399957
Echinococcus granulosus presenilin enhancer 2 0.0504583 0.104432 0.104432
Schistosoma mansoni thyroid hormone receptor 0.023564 0.0399957 0.0399957
Echinococcus multilocularis fibrillin 1 0.0144879 0.01825 0.01825
Onchocerca volvulus 0.0114396 0.0109465 0.015388
Echinococcus multilocularis nuclear receptor nhr 48 0.0111155 0.01017 0.01017
Loa Loa (eye worm) hypothetical protein 0.00991914 0.00730358 0.00730358
Brugia malayi Calcium binding EGF domain containing protein 0.0349234 0.0672119 0.0672119
Loa Loa (eye worm) histone deacetylase 1 0.0490512 0.101061 0.101061
Schistosoma mansoni histone deacetylase hda2 0.0203615 0.0323226 0.0323226
Loa Loa (eye worm) hypothetical protein 0.0318751 0.0599083 0.0599083
Trypanosoma cruzi histone deacetylase, putative 0.0203615 0.0323226 0.0673292
Schistosoma mansoni zinc finger protein 0.0111155 0.01017 0.01017
Brugia malayi conserved hypotetical protein 0.0111155 0.01017 0.01017
Loa Loa (eye worm) gamma-secretase subunit pen-2 0.0504583 0.104432 0.104432
Toxoplasma gondii sushi domain (scr repeat) domain-containing protein 0.0312101 0.058315 0.577028
Brugia malayi Nuclear hormone receptor-like 1 0.0124485 0.0133638 0.0133638
Plasmodium falciparum histone deacetylase, putative 0.0410926 0.0819926 0.775729
Trypanosoma brucei histone deacetylase 2 0.0203615 0.0323226 0.0673292
Giardia lamblia High cysteine protein 0.0135647 0.0160381 0.158698
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Trypanosoma brucei histone deacetylase 1 0.0490512 0.101061 0.250638
Brugia malayi Nuclear hormone receptor-like 1 0.0124485 0.0133638 0.0133638
Trypanosoma brucei histone deacetylase 4 0.0410926 0.0819926 0.199788
Giardia lamblia High cysteine membrane protein EGF-like 0.0135647 0.0160381 0.158698
Loa Loa (eye worm) nuclear receptor NHR-67 0.0111155 0.01017 0.01017
Schistosoma mansoni nuclear receptor 0.0111155 0.01017 0.01017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) protein-tyrosine phosphatase 0.033671 0.0642111 0.0642111
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.023564 0.0399957 0.0399957
Toxoplasma gondii EGF family domain-containing protein 0.0114396 0.0109465 0.108316
Brugia malayi nuclear hormone receptor family member nhr-6 0.0111155 0.01017 0.01017
Echinococcus multilocularis fatty acid binding protein FABP2 0.0105835 0.00889534 0.00889534
Schistosoma mansoni histone deacetylase 1 2 3 0.0203615 0.0323226 0.0323226
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.023564 0.0399957 0.0399957
Echinococcus granulosus histone deacetylase 1 0.0490512 0.101061 0.101061
Trichomonas vaginalis Nicastrin precursor, putative 0.026466 0.0469485 0.316269
Loa Loa (eye worm) lipocalin/cytosolic fatty-acid binding protein family protein 0.0105835 0.00889534 0.00889534
Echinococcus multilocularis Nicastrin 0.026466 0.0469485 0.0469485
Brugia malayi hypothetical protein 0.019268 0.0297026 0.0297026
Echinococcus granulosus crumbs 1 0.0135647 0.0160381 0.0160381
Echinococcus multilocularis presenilin 0.0543569 0.113773 0.113773
Schistosoma mansoni nuclear receptor 0.0111155 0.01017 0.01017
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0166131 0.0233417 0.0233417
Echinococcus granulosus nuclear receptor subfamily 4 group A 0.0111155 0.01017 0.01017
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.0490512 0.101061 0.869934
Brugia malayi Protein-tyrosine phosphatase containing protein 0.033671 0.0642111 0.0642111
Brugia malayi Nuclear hormone receptor-like 1 0.023564 0.0399957 0.0399957
Toxoplasma gondii histone deacetylase HDAC2 0.0490512 0.101061 1
Echinococcus multilocularis neurogenic locus notch protein 4 0.0204355 0.0325 0.0325
Brugia malayi Nuclear hormone receptor E75 0.0111155 0.01017 0.01017
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.023564 0.0399957 0.0399957
Schistosoma mansoni histone deacetylase 4 5 0.0410926 0.0819926 0.0819926
Schistosoma mansoni nuclear hormone receptor 0.0111155 0.01017 0.01017
Loa Loa (eye worm) hypothetical protein 0.0183104 0.0274083 0.0274083
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) steroid hormone receptor 0.0422538 0.0847747 0.0847747
Loa Loa (eye worm) hypothetical protein 0.289285 0.676642 0.676642
Echinococcus granulosus nicalin 0.00982376 0.00707505 0.00707505
Brugia malayi histone deacetylase 3 (HD3) 0.0490512 0.101061 0.101061
Loa Loa (eye worm) hypothetical protein 0.0234839 0.0398036 0.0398036
Schistosoma mansoni retinoic acid receptor RXR 0.159125 0.364789 0.364789
Echinococcus granulosus neurogenic locus notch protein 0.303773 0.711354 0.711354
Brugia malayi GCC2 and GCC3 family protein 0.00991914 0.00730358 0.00730358
Schistosoma mansoni notch 0.0144879 0.01825 0.01825
Toxoplasma gondii histone deacetylase HDAC3 0.0490512 0.101061 1
Brugia malayi Histone deacetylase 1 0.0490512 0.101061 0.101061
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.023564 0.0399957 0.0399957
Giardia lamblia High cysteine membrane protein EGF-like 0.0135647 0.0160381 0.158698
Echinococcus granulosus Nuclear hormone receptor HR96 0.0111155 0.01017 0.01017
Brugia malayi photoreceptor-specific nuclear receptor 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) Notch2 0.191943 0.443418 0.443418
Brugia malayi Histone deacetylase family protein 0.0410926 0.0819926 0.0819926
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.023564 0.0399957 0.0399957
Schistosoma mansoni hypothetical protein 0.026466 0.0469485 0.0469485
Echinococcus multilocularis thyroid hormone receptor alpha 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Brugia malayi nuclear receptor RXR 0.0111155 0.01017 0.01017
Brugia malayi hypothetical protein 0.019268 0.0297026 0.0297026
Schistosoma mansoni histone deacetylase 4 5 0.0410926 0.0819926 0.0819926
Loa Loa (eye worm) hypothetical protein 0.0135647 0.0160381 0.0160381
Echinococcus multilocularis ecdysone induced protein 78C 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0234839 0.0398036 0.0398036
Echinococcus multilocularis fatty acid binding protein FABP2 0.0105835 0.00889534 0.00889534
Onchocerca volvulus 0.023564 0.0399957 0.056224
Echinococcus granulosus histone deacetylase 6 0.0420236 0.0842232 0.0842232
Brugia malayi Nuclear hormone receptor family member nhr-3 0.023564 0.0399957 0.0399957
Echinococcus multilocularis Nuclear hormone receptor HR96 0.0111155 0.01017 0.01017
Echinococcus granulosus histone deacetylase 3 0.0490512 0.101061 0.101061
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0135647 0.0160381 0.0160381
Loa Loa (eye worm) hypothetical protein 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.00991914 0.00730358 0.00730358
Brugia malayi EGF-like domain containing protein 0.0183104 0.0274083 0.0274083
Plasmodium falciparum histone deacetylase 2 0.0410926 0.0819926 0.775729
Giardia lamblia High cysteine membrane protein Group 1 0.0135647 0.0160381 0.158698
Leishmania major presenilin-like aspartic peptidase, putative,presenilin-like aspartic peptidase, clan AD, family A22A, putative 0.0543569 0.113773 1
Toxoplasma gondii histone deacetylase HDAC5 0.0203649 0.0323307 0.319914
Echinococcus multilocularis presenilin enhancer 2 0.0504583 0.104432 0.104432
Echinococcus multilocularis neurogenic locus protein delta 0.0183104 0.0274083 0.0274083
Brugia malayi hypothetical protein 0.0239688 0.0409655 0.0409655
Echinococcus multilocularis nuclear receptor subfamily 4 group A 0.0111155 0.01017 0.01017
Brugia malayi Nuclear hormone receptor family member nhr-31 0.023564 0.0399957 0.0399957
Schistosoma mansoni notch 0.0183104 0.0274083 0.0274083
Echinococcus multilocularis FTZ F1 alpha 0.023564 0.0399957 0.0399957
Onchocerca volvulus 0.0111155 0.01017 0.0142965
Brugia malayi Histone deacetylase family protein 0.0410926 0.0819926 0.0819926
Trypanosoma cruzi histone deacetylase, putative 0.0410926 0.0819926 0.199788
Echinococcus multilocularis histone deacetylase 6 0.0410926 0.0819926 0.0819926
Trypanosoma brucei Presenilin enhancer-2 subunit of gamma secretase, putative 0.0153568 0.0203317 0.0353523
Trichomonas vaginalis histone deacetylase, putative 0.0490512 0.101061 0.869934
Echinococcus granulosus fatty acid binding protein FABP2 0.0105835 0.00889534 0.00889534
Trypanosoma cruzi histone deacetylase 1, putative 0.0490512 0.101061 0.250638
Brugia malayi Transmembrane cell adhesion receptor mua-3 precursor, putative 0.0166131 0.0233417 0.0233417
Echinococcus granulosus histone deacetylase 7 0.0410926 0.0819926 0.0819926
Loa Loa (eye worm) hypothetical protein 0.0216621 0.0354388 0.0354388
Brugia malayi gamma-secretase subunit aph-1 0.424247 1 1
Echinococcus granulosus histone deacetylase 8 0.0203615 0.0323226 0.0323226
Plasmodium vivax histone deacetylase, putative 0.0410926 0.0819926 0.775729
Echinococcus granulosus fatty acid binding protein FABP2 0.0105835 0.00889534 0.00889534
Echinococcus multilocularis nuclear receptor subfamily 1 group D 0.0124485 0.0133638 0.0133638
Loa Loa (eye worm) hypothetical protein 0.0135647 0.0160381 0.0160381
Toxoplasma gondii microneme protein MIC8 0.0114396 0.0109465 0.108316
Brugia malayi histone deacetylase 1 (HD1) 0.0490512 0.101061 0.101061
Brugia malayi tailless protein 0.0111155 0.01017 0.01017
Onchocerca volvulus Nuclear receptor subfamily 6 group A member 1 homolog 0.0111155 0.01017 0.0142965
Toxoplasma gondii notch (dsl) domain-containing protein 0.0312101 0.058315 0.577028
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0543569 0.113773 0.284538
Toxoplasma gondii calcium binding egf domain-containing protein 0.0166131 0.0233417 0.230967
Plasmodium vivax histone deacetylase 2, putative 0.0410926 0.0819926 0.775729
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Echinococcus granulosus hypothetical protein 0.0135647 0.0160381 0.0160381
Echinococcus granulosus nuclear receptor nhr 48 0.0111155 0.01017 0.01017
Trypanosoma cruzi presenilin-like aspartic peptidase, putative 0.0543569 0.113773 0.284538
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0543569 0.113773 1
Onchocerca volvulus 0.0312101 0.058315 0.0819764
Loa Loa (eye worm) notch protein 0.0349234 0.0672119 0.0672119
Echinococcus granulosus neurogenic locus notch protein 4 0.0204355 0.0325 0.0325
Brugia malayi Presenilin spe-4 0.019268 0.0297026 0.0297026
Loa Loa (eye worm) nuclear hormone receptor 0.0111155 0.01017 0.01017
Echinococcus granulosus presenilin 0.0543569 0.113773 0.113773
Brugia malayi hypothetical protein 0.0124485 0.0133638 0.0133638
Toxoplasma gondii microneme protein MIC12 0.0280527 0.05075 0.502173
Brugia malayi EGF-like domain containing protein 0.0312101 0.058315 0.058315
Echinococcus multilocularis glioma pathogenesis protein 0.0135647 0.0160381 0.0160381
Onchocerca volvulus Neurogenic locus notch homolog 0.0312101 0.058315 0.0819764
Trypanosoma cruzi histone deacetylase 1, putative 0.0490512 0.101061 0.250638
Trypanosoma cruzi histone deacetylase, putative 0.0410926 0.0819926 0.199788
Loa Loa (eye worm) hypothetical protein 0.0135647 0.0160381 0.0160381
Echinococcus granulosus histone deacetylase 6 0.0410926 0.0819926 0.0819926
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.023564 0.0399957 0.0399957
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.023564 0.0399957 0.0399957
Giardia lamblia High cysteine membrane protein EGF-like 0.0135647 0.0160381 0.158698
Brugia malayi Nuclear hormone receptor family member nhr-40 0.023564 0.0399957 0.0399957
Brugia malayi Steroid receptor seven-up type 2 0.023564 0.0399957 0.0399957
Brugia malayi Nuclear hormone receptor family member nhr-49 0.023564 0.0399957 0.0399957
Echinococcus multilocularis histone deacetylase 1 0.0490512 0.101061 0.101061
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Echinococcus granulosus nuclear receptor 2DBD gamma 0.023564 0.0399957 0.0399957
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0111155 0.01017 0.01017
Loa Loa (eye worm) hypothetical protein 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) transmembrane cell adhesion receptor mua-3 0.0280527 0.05075 0.05075
Echinococcus granulosus gamma secretase subunit aph 1 0.424247 1 1
Echinococcus multilocularis histone deacetylase 0.0410926 0.0819926 0.0819926
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.023564 0.0399957 0.0399957
Echinococcus granulosus FTZ F1 alpha 0.023564 0.0399957 0.0399957
Schistosoma mansoni histone deacetylase hda2 0.0420236 0.0842232 0.0842232
Entamoeba histolytica presenilin 1 peptidase, putative 0.0543569 0.113773 1
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.236712 0.55068 0.77412
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.023564 0.0399957 0.0399957
Schistosoma mansoni notch 0.121753 0.275248 0.275248
Plasmodium vivax histone deacetylase, putative 0.0203615 0.0323226 0.191531
Brugia malayi steroid hormone receptor 0.0422538 0.0847747 0.0847747
Loa Loa (eye worm) histone deacetylase 11 0.0203615 0.0323226 0.0323226
Onchocerca volvulus Neurogenic locus notch homolog 0.303777 0.711363 1
Loa Loa (eye worm) hypothetical protein 0.0239688 0.0409655 0.0409655
Brugia malayi Nuclear hormone receptor family member nhr-25 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0490512 0.101061 0.101061
Brugia malayi nuclear receptor NHR-88 0.023564 0.0399957 0.0399957
Brugia malayi EGF-like domain containing protein 0.0114396 0.0109465 0.0109465
Loa Loa (eye worm) hypothetical protein 0.213148 0.494223 0.494223
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0124485 0.0133638 0.0133638
Loa Loa (eye worm) hypothetical protein 0.0135647 0.0160381 0.0160381
Echinococcus multilocularis histone deacetylase 7 0.0410926 0.0819926 0.0819926
Echinococcus multilocularis histone deacetylase 6 0.0410926 0.0819926 0.0819926
Loa Loa (eye worm) hypothetical protein 0.0349234 0.0672119 0.0672119
Brugia malayi nuclear receptor NHR-67 0.0111155 0.01017 0.01017
Loa Loa (eye worm) hypothetical protein 0.023564 0.0399957 0.0399957
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0166131 0.0233417 0.0233417
Giardia lamblia Neurogenic locus notch-like protein 0.0135647 0.0160381 0.158698
Brugia malayi ecdysteroid receptor 0.023564 0.0399957 0.0399957
Echinococcus granulosus retinoic acid receptor rxr beta a 0.159125 0.364789 0.364789
Schistosoma mansoni hypothetical protein 0.0312101 0.058315 0.058315
Brugia malayi Calcium binding EGF domain containing protein 0.0349234 0.0672119 0.0672119
Echinococcus multilocularis Nicastrin 0.026466 0.0469485 0.0469485
Schistosoma mansoni subfamily A22A unassigned peptidase (A22 family) 0.0543569 0.113773 0.113773
Giardia lamblia High cysteine protein 0.0135647 0.0160381 0.158698
Loa Loa (eye worm) hypothetical protein 0.0111155 0.01017 0.01017
Brugia malayi Presenilin spe-4 0.019268 0.0297026 0.0297026
Onchocerca volvulus 0.0234839 0.0398036 0.055954
Loa Loa (eye worm) hypothetical protein 0.026466 0.0469485 0.0469485
Giardia lamblia High cysteine membrane protein Group 2 0.0135647 0.0160381 0.158698
Loa Loa (eye worm) hypothetical protein 0.0183104 0.0274083 0.0274083
Echinococcus multilocularis notch 0.0380809 0.0747768 0.0747768
Schistosoma mansoni ecdysone-induced protein 78c (dr-78) 0.0124485 0.0133638 0.0133638
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.023564 0.0399957 0.0399957
Giardia lamblia High cysteine membrane protein Group 1 0.0135647 0.0160381 0.158698
Echinococcus granulosus Nicastrin 0.026466 0.0469485 0.0469485
Brugia malayi EGF-like domain containing protein 0.163476 0.375214 0.375214
Toxoplasma gondii hypothetical protein 0.019268 0.0297026 0.293908
Schistosoma mansoni hypothetical protein 0.0114396 0.0109465 0.0109465
Onchocerca volvulus 0.0111155 0.01017 0.0142965
Brugia malayi hypothetical protein 0.019268 0.0297026 0.0297026
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.424247 1 1
Onchocerca volvulus 0.0183104 0.0274083 0.0385294
Echinococcus granulosus tyrosine protein phosphatase non receptor type 0.033671 0.0642111 0.0642111
Brugia malayi ecdysone receptor 0.0111155 0.01017 0.01017
Brugia malayi Nuclear hormone receptor family member nhr-19 0.023564 0.0399957 0.0399957
Trypanosoma brucei presenilin-like aspartic peptidase, putative 0.0543569 0.113773 0.284538
Brugia malayi Nuclear hormone receptor family member nhr-41 0.023564 0.0399957 0.0399957
Loa Loa (eye worm) hypothetical protein 0.0166131 0.0233417 0.0233417
Brugia malayi Muscle positioning protein 4 0.00991914 0.00730358 0.00730358
Loa Loa (eye worm) hypothetical protein 0.0124485 0.0133638 0.0133638
Brugia malayi histone deacetylase 11 0.0203615 0.0323226 0.0323226
Echinococcus multilocularis fibrillin 2 0.0144879 0.01825 0.01825
Trichomonas vaginalis Clan AD, family A22, presenilin-like aspartic peptidase 0.0543569 0.113773 1
Schistosoma mansoni thyroid hormone receptor 0.023564 0.0399957 0.0399957
Echinococcus multilocularis tyrosine protein phosphatase non receptor type 0.033671 0.0642111 0.0642111
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.023564 0.0399957 0.0399957
Brugia malayi hypothetical protein 0.0124485 0.0133638 0.0133638
Loa Loa (eye worm) hypothetical protein 0.0349234 0.0672119 0.0672119
Schistosoma mansoni slit 0.0183104 0.0274083 0.0274083
Giardia lamblia High cysteine membrane protein EGF-like 0.0135647 0.0160381 0.158698
Brugia malayi hypothetical protein 0.0111155 0.01017 0.01017
Echinococcus multilocularis histone deacetylase 3 0.0490512 0.101061 0.101061
Echinococcus multilocularis nicalin 0.00982376 0.00707505 0.00707505
Giardia lamblia Histone deacetylase 0.0490512 0.101061 1
Brugia malayi hypothetical protein 0.026466 0.0469485 0.0469485

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 1.2 uM Antiplasmodial activity against chloroquine-sensitive Plasmodium falciparum F-32 Tanzania assessed as inhibition of parasitemia after 3 days ChEMBL. 22910226
IC50 (functional) = 3.1 uM Cytotoxicity against mouse B16F10 cells after 72 hrs by MTT colorimetric assay ChEMBL. 20550100
IC50 (functional) = 4 uM Cytotoxicity against human A549 cells after 72 hrs by MTT colorimetric assay ChEMBL. 20550100
IC50 (functional) = 4.2 uM Cytotoxicity against human SK-MEL cells after 72 hrs by MTT colorimetric assay ChEMBL. 20550100

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Homo sapiens ChEMBL23 20550100
Mus musculus ChEMBL23 20550100
Plasmodium falciparum ChEMBL23 22910226

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

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?
In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.
 
In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

Bibliographic References

No literature references available for this target.

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