Detailed information for compound 28639

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 725.683 | Formula: C33H34F3NO12S
  • H donors: 5 H acceptors: 9 LogP: 3.98 Rotable bonds: 12
    Rule of 5 violations (Lipinski): 2
  • SMILES: CCCC(=O)SCC(=O)[C@@]1(O)C[C@H](OC2OC(C)C(C(C2)NC(=O)C(F)(F)F)O)c2c(C1)c(O)c1c(c2O)C(=O)c2c(C1=O)cccc2OC
  • InChi: 1S/C33H34F3NO12S/c1-4-6-20(39)50-12-19(38)32(46)10-15-23(18(11-32)49-21-9-16(26(40)13(2)48-21)37-31(45)33(34,35)36)30(44)25-24(28(15)42)27(41)14-7-5-8-17(47-3)22(14)29(25)43/h5,7-8,13,16,18,21,26,40,42,44,46H,4,6,9-12H2,1-3H3,(H,37,45)/t13?,16?,18-,21?,26?,32-/m0/s1
  • InChiKey: JTAHAPZQPHVVTJ-NMUBMDGCSA-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
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0018 0.0017 0.0547
Trypanosoma brucei phosphatidylinositol 3-related kinase, putative 0.0018 0.0017 0.0214
Echinococcus multilocularis L aminoadipate semialdehyde 0.0082 0.041 0.0618
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0027 0.0037
Schistosoma mansoni bromodomain containing protein 0.0062 0.0288 0.0438
Echinococcus granulosus zinc finger protein 0.0019 0.0026 0.0035
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0156 0.1989
Mycobacterium tuberculosis Probable bifunctional penicillin-binding protein 1A/1B PonA1 (murein polymerase) (PBP1): penicillin-insensitive transglycosylase 0.0238 0.1366 0.2278
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1671 0.3616
Mycobacterium leprae Probable penicillin-binding protein PbpA 0.0973 0.5876 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0027 0.0037
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0018 0.0017 0.0547
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0023 0.0049 0.0024
Onchocerca volvulus 0.0059 0.0268 0.0367
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0053 0.0231 0.0346
Loa Loa (eye worm) hypothetical protein 0.0075 0.037 0.0558
Echinococcus granulosus muscleblind protein 0.0146 0.0806 0.1219
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0022 0.0044 0.0066
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.1671 1
Loa Loa (eye worm) CAMK/PIM protein kinase 0.1089 0.6587 1
Leishmania major DNA polymerase kappa, putative 0.0021 0.0035 0.1148
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0023 0.0049 0.1291
Trypanosoma cruzi target of rapamycin kinase 3 0.0018 0.0017 0.0547
Trichomonas vaginalis DNA polymerase eta, putative 0.004 0.0156 0.0304
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0156 0.1989
Chlamydia trachomatis transglycolase/transpeptidase 0.0746 0.4483 0.4456
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0049 1
Brugia malayi Bromodomain containing protein 0.0073 0.0359 0.0541
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0254 0.024
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0096 0.122
Trypanosoma brucei hypothetical protein, conserved 0.0023 0.0049 0.0627
Mycobacterium ulcerans penicillin-binding lipoprotein 0.0301 0.1757 0.1996
Echinococcus granulosus L aminoadipate semialdehyde 0.0082 0.041 0.0618
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0018 0.0017 0.0547
Mycobacterium ulcerans penicillin-binding protein PbpA 0.0973 0.5876 0.681
Schistosoma mansoni hypothetical protein 0.0033 0.0113 0.0171
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0022 0.0044 0.0062
Trichomonas vaginalis glutaminase, putative 0.0269 0.1557 0.3367
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0027 0.0037
Schistosoma mansoni zinc finger protein 0.0019 0.0026 0.0039
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0057 0.0089
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0017 0.0547
Schistosoma mansoni rab6-interacting 0.0019 0.0027 0.0041
Loa Loa (eye worm) hypothetical protein 0.0082 0.041 0.0618
Onchocerca volvulus 0.0082 0.041 0.0583
Echinococcus granulosus proto oncogene serine:threonine protein kinase 0.1089 0.6587 1
Trypanosoma brucei unspecified product 0.0034 0.0116 0.1481
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0156 0.1989
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0017 0.0021
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0018 0.0017 0.0021
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0058 0.0267 0.0401
Schistosoma mansoni hypothetical protein 0.0015 0.0003 0.0004
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0075 0.037 0.0562
Mycobacterium tuberculosis Probable penicillin-binding protein PbpA 0.0973 0.5876 1
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0116 0.062 0.0937
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0075 0.037 0.0558
Loa Loa (eye worm) hypothetical protein 0.0019 0.0027 0.0037
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.014 0.0769 0.1257
Schistosoma mansoni rab6-interacting 0.0019 0.0027 0.0041
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1671 0.3616
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1671 0.3616
Loa Loa (eye worm) hypothetical protein 0.0069 0.0333 0.0502
Echinococcus granulosus histone lysine methyltransferase setb 0.0075 0.037 0.0558
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0306 0.391
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0408 0.2414 0.3662
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0156 0.5086
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0254 0.0382
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.0254 0.024
Loa Loa (eye worm) glutaminase 0.0269 0.1557 0.2361
Echinococcus granulosus transcription factor Dp 1 0.0038 0.0139 0.0206
Schistosoma mansoni hypothetical protein 0.0015 0.0003 0.0004
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0018 0.0017 0.0021
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0058 0.0267 0.0401
Echinococcus multilocularis serine protein kinase ATM 0.0024 0.0057 0.0083
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0018 0.0017 0.0021
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1671 0.3616
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0011 0.0016
Loa Loa (eye worm) hypothetical protein 0.0033 0.0113 0.0167
Treponema pallidum penicillin-binding protein (pbp-1) 0.1645 1 1
Trypanosoma brucei DNA polymerase kappa, putative 0.0021 0.0035 0.0449
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0008 0.0103
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0018 0.0017 0.0214
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0287 0.1671 1
Brugia malayi Bromodomain containing protein 0.0038 0.0138 0.0206
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0065 0.0306 0.0461
Brugia malayi Pre-SET motif family protein 0.0408 0.2414 0.3662
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0018 0.0017 0.0025
Mycobacterium leprae POSSIBLE PENICILLIN-BINDING LIPOPROTEIN 0.0301 0.1757 0.2931
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0059 0.0268 0.0406
Leishmania major phosphopantetheinyl transferase-like protein 0.0023 0.0049 0.1604
Mycobacterium ulcerans penicillin-binding membrane protein PbpB 0.1418 0.8607 1
Brugia malayi Muscleblind-like protein 0.0146 0.0806 0.1219
Loa Loa (eye worm) hypothetical protein 0.0031 0.0096 0.0141
Mycobacterium leprae PROBABLE BIFUNCTIONAL PENICILLIN-BINDING PROTEIN 1A/1B PONA1 (MUREIN POLYMERASE) (PBP1): PENICILLIN-INSENSITIVE TRANSGLYCOSYLASE 0.0763 0.4592 0.7795
Brugia malayi Serine/threonine-protein kinase Pim-3 0.1089 0.6587 1
Plasmodium vivax SET domain protein, putative 0.0059 0.0268 1
Echinococcus granulosus fetal alzheimer antigen falz 0.0022 0.0044 0.0062
Mycobacterium ulcerans glutaminase 0.0269 0.1557 0.1762
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0056 0.0254 0.0382
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0008 0.0103
Echinococcus multilocularis zinc finger protein 0.0019 0.0026 0.0035
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0023 0.0049 0.1291
Brugia malayi latrophilin 2 splice variant baaae 0.0033 0.0113 0.0167
Echinococcus multilocularis dna polymerase kappa 0.004 0.0156 0.0232
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1671 0.3616
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.004 0.0156 0.0304
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0306 1
Schistosoma mansoni ataxia telangiectasia mutated (atm) 0.0024 0.0057 0.0087
Loa Loa (eye worm) hypothetical protein 0.0038 0.0139 0.0206
Mycobacterium leprae Probable penicillin-binding membrane protein PbpB 0.0444 0.2634 0.4436
Trichomonas vaginalis conserved hypothetical protein 0.0763 0.4592 1
Schistosoma mansoni polycystin 1-related 0.0019 0.0027 0.0041
Echinococcus multilocularis RUN 0.0019 0.0027 0.0037
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.014 0.0769 0.1236
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0018 0.0017 0.0214
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0065 0.0306 0.0461
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0116 0.062 0.0937
Schistosoma mansoni hypothetical protein 0.0019 0.0027 0.0041
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0065 0.0306 0.0465
Trypanosoma brucei DNA polymerase kappa, putative 0.0016 0.0008 0.0103
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0018 0.0017 0.0554
Mycobacterium tuberculosis Possible penicillin-binding lipoprotein 0.0301 0.1757 0.2948
Brugia malayi polk-prov protein 0.0031 0.0096 0.0141
Trypanosoma brucei DNA polymerase kappa, putative 0.0031 0.0096 0.122
Schistosoma mansoni loxhd1 0.0019 0.0027 0.0041
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0018 0.0017 0.0214
Leishmania major phosphatidylinositol 3-kinase, putative 0.0018 0.0017 0.0547
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0156 0.1989
Trypanosoma brucei phosphatidylinositol kinase related protein, putative 0.0024 0.0057 0.0732
Echinococcus granulosus methyl CpG binding domain protein 2 0.0017 0.0011 0.0012
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0049 0.0208 0.0311
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0018 0.0017 0.0547
Schistosoma mansoni hypothetical protein 0.0143 0.0783 0.1189
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0156 0.1989
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0156 0.1989
Entamoeba histolytica hypothetical protein 0.0024 0.0057 0.0245
Echinococcus multilocularis transcription factor Dp 1 0.0038 0.0139 0.0206
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0156 0.1989
Trypanosoma brucei DNA polymerase IV, putative 0.004 0.0156 0.1989
Schistosoma mansoni lipoxygenase 0.0116 0.062 0.0941
Entamoeba histolytica hypothetical protein 0.0023 0.0049 0.0196
Schistosoma mansoni phosphatidylinositol 3-and 4-kinase 0.0018 0.0017 0.0025
Toxoplasma gondii FATC domain-containing protein 0.0024 0.0057 0.1619
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0065 0.0306 1
Echinococcus granulosus RUN 0.0019 0.0027 0.0037
Mycobacterium ulcerans bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 0.0526 0.3134 0.3605
Loa Loa (eye worm) hypothetical protein 0.0146 0.0806 0.1219
Wolbachia endosymbiont of Brugia malayi cell division protein FtsI 0.1645 1 1
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0035 0.0124 0.0184
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.0065 0.0306 0.175
Brugia malayi hypothetical protein 0.0019 0.0027 0.0037
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.0254 0.0382
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1671 0.3616
Brugia malayi Pre-SET motif family protein 0.0059 0.0268 0.0402
Treponema pallidum penicillin-binding protein (pbp-3) 0.1418 0.8607 0.86
Brugia malayi Doublecortin family protein 0.0019 0.0027 0.0037
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0156 0.1989
Schistosoma mansoni serine/threonine protein kinase 0.1089 0.6587 1
Loa Loa (eye worm) glutaminase 2 0.0269 0.1557 0.2361
Mycobacterium leprae PROBABLE BIFUNCTIONAL MEMBRANE-ASSOCIATED PENICILLIN-BINDING PROTEIN 1A/1B PONA2 (MUREIN POLYMERASE) [INCLUDES: PENICILLIN-INSEN 0.0526 0.3134 0.5294
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0065 0.0306 1
Leishmania major phosphatidylinositol 3-related kinase, putative 0.0018 0.0017 0.0547
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0059 0.0268 1
Trypanosoma cruzi phosphatidylinositol 3-related kinase, putative 0.0018 0.0017 0.0547
Echinococcus multilocularis muscleblind protein 0.0146 0.0806 0.1219
Loa Loa (eye worm) hypothetical protein 0.0019 0.0027 0.0037
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1671 0.3616
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0027 0.0037
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.0254 0.0386
Mycobacterium tuberculosis Probable penicillin-binding membrane protein PbpB 0.0444 0.2634 0.4449
Trichomonas vaginalis set domain proteins, putative 0.0465 0.2761 0.5997
Loa Loa (eye worm) hypothetical protein 0.0042 0.0164 0.0245
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0287 0.1671 0.3616
Treponema pallidum penicillin-binding protein (pbp-2) 0.0763 0.4592 0.4565
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0035 0.0124 0.0184
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0017 0.0021
Schistosoma mansoni glutaminase 0.0269 0.1557 0.2364
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0027 0.0037
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0065 0.0306 0.0461
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0075 0.037 0.0562
Leishmania major phosphatidylinositol kinase related protein, putative 0.0018 0.0017 0.0554
Trypanosoma brucei DNA polymerase IV, putative 0.0034 0.0116 0.1481
Echinococcus multilocularis muscleblind protein 1 0.0146 0.0806 0.1219
Echinococcus granulosus dna polymerase kappa 0.004 0.0156 0.0232
Echinococcus granulosus phosphatidylinositol 3 and 4 kinase 0.0018 0.0017 0.0021
Brugia malayi hypothetical protein 0.0019 0.0027 0.0037
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0156 0.1989
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0156 0.5086
Brugia malayi Calcitonin receptor-like protein seb-1 0.0049 0.0208 0.0311
Loa Loa (eye worm) hypothetical protein 0.0146 0.0806 0.1219
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0017 0.0011 0.0012
Schistosoma mansoni methyl-cpg binding protein mbd 0.0017 0.0011 0.0016
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0021 0.0036 0.119
Schistosoma mansoni hypothetical protein 0.0015 0.0003 0.0004
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.014 0.0769 0.0842
Brugia malayi PHD-finger family protein 0.0024 0.0058 0.0083
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0156 0.1989
Loa Loa (eye worm) CAMK/PIM protein kinase 0.1089 0.6587 1
Mycobacterium tuberculosis Probable bifunctional membrane-associated penicillin-binding protein 1A/1B PonA2 (murein polymerase) [includes: penicillin-insen 0.0526 0.3134 0.5305
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0059 0.0268 0.0406
Loa Loa (eye worm) phosphatidylinositol 3 0.0018 0.0017 0.0021
Onchocerca volvulus Serine\/threonine protein kinase homolog 0.1089 0.6587 1
Echinococcus multilocularis phosphatidylinositol 3 and 4 kinase 0.0018 0.0017 0.0021
Giardia lamblia Fructose-bisphosphate aldolase 0.0287 0.1671 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.0254 0.0382
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0027 0.0037
Treponema pallidum fructose-bisphosphate aldolase 0.0287 0.1671 0.163
Trypanosoma brucei RNA helicase, putative 0.0143 0.0783 1
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0024 0.0057 0.0083
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0082 0.041 0.0622
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0032 0.0044
Schistosoma mansoni hypothetical protein 0.002 0.0032 0.0049
Trypanosoma brucei phosphatidylinositol 3-kinase, putative 0.0018 0.0017 0.0214
Echinococcus multilocularis proto oncogene serine:threonine protein kinase 0.1089 0.6587 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0049 0.0208 0.0311
Trypanosoma cruzi phosphatidylinositol kinase related protein, putative 0.0024 0.0057 0.1872
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0023 0.0049 0.092
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0065 0.0306 0.0461
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0059 0.0268 0.0402
Loa Loa (eye worm) hypothetical protein 0.0049 0.0208 0.0311
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.0254 0.8297
Schistosoma mansoni lipoxygenase 0.0081 0.0405 0.0616
Brugia malayi Protein kinase domain containing protein 0.1089 0.6587 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0156 0.5086
Loa Loa (eye worm) hypothetical protein 0.004 0.0153 0.0228
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0021 0.0035 0.1148
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.0254 0.0375
Loa Loa (eye worm) bromodomain containing protein 0.0017 0.0014 0.0017
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0156 0.0125
Giardia lamblia DINP protein human, muc B family 0.0021 0.0035 0.0111
Onchocerca volvulus 0.0465 0.2761 0.4167
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0027 0.0037
Mycobacterium ulcerans bifunctional penicillin-binding protein 1A/1B PonA1 0.0763 0.4592 0.5308
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0018 0.0017 0.0547
Schistosoma mansoni hypothetical protein 0.0015 0.0003 0.0004
Trypanosoma cruzi DNA polymerase kappa, putative 0.004 0.0156 0.5086
Loa Loa (eye worm) hypothetical protein 0.0021 0.0036 0.0051
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0082 0.041 0.0618
Echinococcus granulosus serine protein kinase ATM 0.0024 0.0057 0.0083
Brugia malayi glutaminase DH11.1 0.0269 0.1557 0.2361
Mycobacterium ulcerans DNA polymerase IV 0.004 0.0156 0.0125

Activities

Activity type Activity value Assay description Source Reference
ID50 (functional) > 5 uM Compound was evaluated in vitro for growth-inhibition assay utilizing CCRF-CEM cells, a lymphoblastic leukemic line of human origin ChEMBL. 3806575
ID50 (functional) > 5 uM Compound was evaluated in vitro for growth-inhibition assay utilizing CCRF-CEM cells, a lymphoblastic leukemic line of human origin ChEMBL. 3806575
Ratio (binding) 0 Compound was tested in vitro for ability to bind with double helical calf thymus DNA was determined spectrophotometrically at 480 nmby spectral shift method and the value expressed as the ratio A/Ao; ND means not determined ChEMBL. 3806575
T1/2 (ADMET) = 42 min Time for esterases in unfractionated mouse serum to reduce the concentration of the compound due to thio ester deacylation ChEMBL. 3806575
T1/2 (ADMET) = 42 min Time for esterases in unfractionated mouse serum to reduce the concentration of the compound due to thio ester deacylation ChEMBL. 3806575

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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

Annotated phenotypes:

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

Bibliographic References

1 literature reference was collected for this gene.

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