Detailed information for compound 90025

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 485.655 | Formula: C29H43NO5
  • H donors: 3 H acceptors: 4 LogP: 5.61 Rotable bonds: 15
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H](C[C@@]1(O)C(=O)C=CC2[C@H]1O2)NC(=O)/C=C/C=C/C=C\[C@H](C[C@H](C/C(=C/[C@H](CC)C)/C)C)C
  • InChi: 1S/C29H43NO5/c1-6-20(2)15-22(4)17-23(5)16-21(3)11-9-7-8-10-12-27(33)30-24(19-31)18-29(34)26(32)14-13-25-28(29)35-25/h7-15,20-21,23-25,28,31,34H,6,16-19H2,1-5H3,(H,30,33)/b8-7+,11-9+,12-10+,22-15+/t20-,21+,23+,24+,25?,28+,29-/m1/s1
  • InChiKey: KSIWZCYBCSQXTA-KTQFXQGNSA-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
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0.0021 0.0087
Echinococcus multilocularis carbonyl reductase 1 0.0018 0.0009 0.0002
Loa Loa (eye worm) doublecortin family protein 0.0019 0.0037 0.0072
Schistosoma mansoni loxhd1 0.0019 0.0037 0.0038
Loa Loa (eye worm) MBCTL1 0.0054 0.0534 0.1325
Mycobacterium tuberculosis Probable reductase 0.0126 0.1588 0.158
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Leishmania major hypothetical protein, conserved 0.011 0.1358 0.4977
Echinococcus granulosus lysine specific demethylase 5A 0.0072 0.0805 0.1066
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0076 0.0851 0.624
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1785 0.2377
Leishmania major hypothetical protein, conserved 0.0026 0.0135 0.0464
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.1358 0.1806
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0033 0.0087
Loa Loa (eye worm) hypothetical protein 0.0291 0.3976 1
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0021 0.0033
Brugia malayi jmjC domain containing protein 0.0069 0.0754 0.1897
Leishmania major hypothetical protein, conserved 0.0018 0.0021 0.0043
Schistosoma mansoni zinc finger protein 0.0025 0.0113 0.014
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1785 0.2377
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1785 0.2377
Schistosoma mansoni carbonyl reductase 0.0018 0.0009 0.0002
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0047 0.0439 0.0577
Loa Loa (eye worm) hypothetical protein 0.0076 0.0851 0.2124
Echinococcus multilocularis expressed conserved protein 0.0278 0.3789 0.506
Brugia malayi beta-lactamase 0.011 0.1358 0.3416
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2) 0.005 0.0473 0.0464
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Loa Loa (eye worm) CXXC zinc finger family protein 0.0028 0.0163 0.039
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0019 0.0033 0.0087
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0052 0.0511 0.1285
Entamoeba histolytica exodeoxyribonuclease III, putative 0.0027 0.0151 0.4196
Schistosoma mansoni neutral sphingomyelinase 0.0291 0.3976 0.5309
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0019 0.0033 0.0175
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.1358 1
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0027 0.0151 0.0191
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Brugia malayi D-beta-hydroxybutyrate dehydrogenase, mitochondrial precursor 0.0018 0.0009 0.0023
Schistosoma mansoni hypothetical protein 0.0401 0.5571 0.7443
Schistosoma mansoni hypothetical protein 0.0019 0.0037 0.0038
Echinococcus multilocularis lysine specific demethylase 6a 0.0018 0.0021 0.0017
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.014 0.1785 0.2377
Schistosoma mansoni hypothetical protein 0.0532 0.7481 1
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.011 0.1358 0.3402
Echinococcus multilocularis SAM and MBT domain containing protein 0.0047 0.0439 0.0577
Loa Loa (eye worm) mbt repeat family protein 0.0047 0.0439 0.1086
Echinococcus granulosus hypothetical protein 0.0018 0.0009 0.0002
Plasmodium falciparum thioredoxin reductase 0.0019 0.0033 0.0281
Trichomonas vaginalis penicillin-binding protein, putative 0.011 0.1358 1
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0135 0.1493
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0019 0.0033 0.0087
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0126 0.1588 0.158
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0018 0.0021 0.0017
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Echinococcus granulosus jumonji domain containing 1A 0.0018 0.0021 0.0017
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0033 0.0175
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Mycobacterium ulcerans hypothetical protein 0.011 0.1358 0.4977
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0439 0.0577
Echinococcus granulosus 3 ketodihydrosphingosine reductase 0.0018 0.0009 0.0002
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Schistosoma mansoni retinal dehydrogenase 0.0018 0.0009 0.0002
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Echinococcus multilocularis neutral sphingomyelinase 0.0291 0.3976 0.5309
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.0199 0.2639 0.352
Echinococcus granulosus epidermal retinal dehydrogenase 2 0.0018 0.0009 0.0002
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0019 0.0033 0.0033
Echinococcus granulosus histone acetyltransferase KAT2B 0.0147 0.1893 0.2522
Plasmodium falciparum LCCL domain-containing protein 0.0019 0.0037 0.0327
Mycobacterium tuberculosis Probable lipase LipE 0.011 0.1358 0.135
Schistosoma mansoni cpg binding protein 0.0032 0.0213 0.0275
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0851 0.3105
Toxoplasma gondii ABC1 family protein 0.011 0.1358 1
Leishmania major trypanothione reductase 0.0055 0.0558 0.2026
Mycobacterium tuberculosis Probable conserved lipoprotein 0.011 0.1358 0.135
Loa Loa (eye worm) hypothetical protein 0.011 0.1358 0.3402
Mycobacterium tuberculosis Probable dehydrogenase 0.0126 0.1588 0.158
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0033 0.0175
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0037 0.0038
Echinococcus multilocularis estradiol 17 beta dehydrogenase 12 0.0018 0.0009 0.0002
Trichomonas vaginalis mercuric reductase, putative 0.0019 0.0033 0.0175
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Schistosoma mansoni hypothetical protein 0.0532 0.7481 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0393 0.097
Loa Loa (eye worm) dehydrogenase 0.0018 0.0009 0.0003
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0187 0.2464 0.6191
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0027 0.0151 0.0361
Trypanosoma cruzi trypanothione reductase, putative 0.0019 0.0033 0.0175
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Loa Loa (eye worm) bromodomain containing protein 0.0021 0.0062 0.0136
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0033 0.0175
Trypanosoma brucei JmjC domain, hydroxylase, putative 0.0018 0.0021 0.0087
Loa Loa (eye worm) hypothetical protein 0.0168 0.2189 0.5497
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.014 0.1785 0.2377
Schistosoma mansoni cpg binding protein 0.0028 0.0163 0.0207
Echinococcus granulosus hypothetical protein 0.0018 0.0009 0.0002
Brugia malayi hypothetical protein 0.0019 0.0037 0.0092
Onchocerca volvulus 0.011 0.1358 0.34
Brugia malayi PHD-finger family protein 0.003 0.0189 0.0476
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0019 0.0033 0.0175
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0047 0.0435 0.3158
Loa Loa (eye worm) oxidoreductase 0.0018 0.0009 0.0003
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Echinococcus granulosus carbonyl reductase 1 0.0018 0.0009 0.0002
Trypanosoma brucei hypothetical protein, conserved 0.011 0.1358 1
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0204 0.2719 1
Toxoplasma gondii NADPH-glutathione reductase 0.0019 0.0033 0.0175
Schistosoma mansoni jumonji domain containing protein 0.0069 0.0754 0.0998
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0019 0.0033 0.0024
Echinococcus granulosus tumor protein p63 0.0358 0.4944 0.6605
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0154 0.1988 0.265
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.1358 1
Schistosoma mansoni cpg binding protein 0.0032 0.0213 0.0275
Echinococcus multilocularis retinol dehydrogenase 13 0.0018 0.0009 0.0002
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0024 0.0101 0.0125
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0022 0.0072 0.0085
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0033 0.0175
Schistosoma mansoni rab6-interacting 0.0019 0.0037 0.0038
Trichomonas vaginalis bromodomain-containing protein, putative 0.0047 0.0435 0.3158
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0027 0.0151 0.1052
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.011 0.1358 0.4977
Loa Loa (eye worm) hypothetical protein 0.0019 0.0037 0.0072
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0047 0.0435 0.3158
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0805 0.1066
Echinococcus granulosus cpg binding protein 0.0032 0.0213 0.0275
Brugia malayi dehydrogenases, short chain protein 2 0.0018 0.0009 0.0023
Trypanosoma brucei trypanothione reductase 0.0055 0.0558 0.407
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0027 0.0151 0.0142
Echinococcus multilocularis conserved hypothetical protein 0.0018 0.0009 0.0002
Treponema pallidum exodeoxyribonuclease (exoA) 0.0027 0.0151 0.1445
Loa Loa (eye worm) hypothetical protein 0.0026 0.0135 0.032
Echinococcus multilocularis carbonyl reductase 1 0.0018 0.0009 0.0002
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0069 0.0754 0.0998
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0033 0.0175
Echinococcus granulosus SAM and MBT domain containing protein 0.0047 0.0439 0.0577
Plasmodium vivax ataxin-2 like protein, putative 0.0026 0.0135 0.0931
Mycobacterium ulcerans beta-lactamase 0.011 0.1358 0.4977
Trichomonas vaginalis glutathione reductase, putative 0.0019 0.0033 0.0175
Mycobacterium tuberculosis Probable esterase LipL 0.011 0.1358 0.135
Loa Loa (eye worm) jmjC domain-containing protein 0.0072 0.0805 0.2008
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0204 0.2719 1
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0132 0.1213
Echinococcus multilocularis 3 ketodihydrosphingosine reductase 0.0018 0.0009 0.0002
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.014 0.1785 0.4489
Schistosoma mansoni phosphatidylserine receptor 0.0018 0.0021 0.0017
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0036 0.027 0.0351
Echinococcus granulosus carbonyl reductase 1 0.0018 0.0009 0.0002
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.014 0.1785 0.4478
Echinococcus multilocularis geminin 0.0532 0.7481 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0055 0.0558 0.0736
Echinococcus multilocularis cpg binding protein 0.0032 0.0213 0.0275
Toxoplasma gondii histone lysine demethylase JMJD6a 0.0018 0.0021 0.0087
Plasmodium vivax hypothetical protein, conserved 0.011 0.1358 1
Schistosoma mansoni jumonji domain containing protein 0.0018 0.0021 0.0017
Schistosoma mansoni jumonji/arid domain-containing protein 0.0072 0.0805 0.1066
Echinococcus granulosus polycomb protein SCMH1 0.0047 0.0439 0.0577
Schistosoma mansoni short-chain dehydrogenase/reductase 0.0018 0.0009 0.0002
Brugia malayi mbt repeat family protein 0.0047 0.0439 0.1104
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0851 1
Brugia malayi Muscleblind-like protein 0.0168 0.2189 0.5507
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Mycobacterium ulcerans esterase/lipase LipP 0.011 0.1358 0.4977
Echinococcus granulosus hypothetical protein 0.0278 0.3789 0.506
Echinococcus multilocularis retinol dehydrogenase 11 0.0018 0.0009 0.0002
Echinococcus multilocularis retinol dehydrogenase 11 0.0018 0.0009 0.0002
Brugia malayi jmjC domain containing protein 0.0018 0.0021 0.0053
Loa Loa (eye worm) hypothetical protein 0.007 0.077 0.1919
Echinococcus granulosus Dehydrogenase:reductase SDR family 0.0018 0.0009 0.0002
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0033 0.0175
Schistosoma mansoni peptidase Clp (S14 family) 0.0076 0.0851 0.1128
Echinococcus granulosus peptidase Clp S14 family 0.005 0.0473 0.0622
Onchocerca volvulus 0.0047 0.0439 0.1084
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0027 0.0151 0.1686
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0033 0.0175
Schistosoma mansoni hypothetical protein 0.0036 0.0272 0.0353
Brugia malayi acetyltransferase, GNAT family protein 0.0154 0.1988 0.5001
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0019 0.0033 0.0175
Echinococcus multilocularis peptidase Clp (S14 family) 0.005 0.0473 0.0622
Brugia malayi hypothetical protein 0.0019 0.0037 0.0092
Loa Loa (eye worm) hypothetical protein 0.011 0.1358 0.3402
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Echinococcus granulosus phd:f box containing protein 0.0018 0.0021 0.0017
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0054 0.0545 0.0719
Loa Loa (eye worm) hypothetical protein 0.0052 0.0514 0.1275
Mycobacterium tuberculosis Conserved protein 0.011 0.1358 0.135
Loa Loa (eye worm) oxidoreductase 0.0018 0.0009 0.0003
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0047 0.0435 0.3158
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.011 0.1358 0.1806
Loa Loa (eye worm) hypothetical protein 0.011 0.1358 0.3402
Echinococcus multilocularis tumor protein p63 0.0358 0.4944 0.6605
Echinococcus granulosus expressed conserved protein 0.0278 0.3789 0.506
Brugia malayi exodeoxyribonuclease III family protein 0.0027 0.0151 0.038
Echinococcus granulosus Polycystic kidney disease protein 0.0019 0.0037 0.0038
Loa Loa (eye worm) hypothetical protein 0.0036 0.0272 0.0664
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0027 0.0151 0.1052
Plasmodium vivax thioredoxin reductase, putative 0.0055 0.0558 0.407
Echinococcus multilocularis beta LACTamase domain containing family member 0.011 0.1358 0.1806
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0019 0.0033 0.0175
Brugia malayi follicle stimulating hormone receptor 0.0239 0.3219 0.8098
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0054 0.0534 0.0704
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0126 0.1588 0.158
Brugia malayi Dehydrogenases, short chain protein 30 0.0018 0.0009 0.0023
Echinococcus multilocularis carbonyl reductase 1 0.0018 0.0009 0.0002
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.0272 0.0683
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0033
Schistosoma mansoni sex comb on midleg homolog 0.0047 0.0439 0.0577
Mycobacterium leprae ATP-dependent Clp protease proteolytic subunit 1 0.0026 0.0132 0.0689
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0021 0.0033
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0064 0.0689 0.0911
Loa Loa (eye worm) acetyltransferase 0.0154 0.1988 0.4991
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.011 0.1358 0.135
Mycobacterium tuberculosis Conserved protein 0.011 0.1358 0.135
Toxoplasma gondii exonuclease III APE 0.0027 0.0151 0.1052
Brugia malayi Bromodomain containing protein 0.0079 0.0908 0.2284
Onchocerca volvulus 0.0052 0.0514 0.1272
Schistosoma mansoni oxidoreductase short chain dehydrogenase/reductase family 0.0018 0.0009 0.0002
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Brugia malayi jmjC domain containing protein 0.0018 0.0021 0.0053
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0027 0.0151 0.4196
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0054 0.0545 0.0719
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0027 0.0151 0.1052
Echinococcus multilocularis transient receptor potential cation channel 0.0018 0.0009 0.0002
Schistosoma mansoni cellular tumor antigen P53 0.0052 0.0514 0.0677
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0033
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0027 0.0151 0.1052
Giardia lamblia NADH oxidase lateral transfer candidate 0.0019 0.0033 0.0699
Schistosoma mansoni myelin transcription factor 1 myt1 0.0054 0.0534 0.0704
Echinococcus granulosus zinc finger protein 0.0025 0.0113 0.014
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0047 0.0435 0.3158
Schistosoma mansoni carbonyl reductase 0.0018 0.0009 0.0002
Mycobacterium tuberculosis Conserved protein 0.011 0.1358 0.135
Loa Loa (eye worm) hypothetical protein 0.0018 0.0021 0.0033
Echinococcus granulosus histone acetyltransferase KAT2B 0.0047 0.0435 0.0572
Loa Loa (eye worm) hypothetical protein 0.0054 0.0534 0.1325
Mycobacterium leprae conserved hypothetical protein 0.011 0.1358 0.7563
Echinococcus granulosus JmjC domain containing protein 4 0.0018 0.0021 0.0017
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Brugia malayi hypothetical protein 0.0018 0.0009 0.0023
Trypanosoma brucei PAB1-binding protein , putative 0.0026 0.0135 0.0931
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Toxoplasma gondii LsmAD domain-containing protein 0.0026 0.0135 0.0931
Echinococcus granulosus ATP dependent Clp protease proteolytic subunit 0.0076 0.0851 0.1128
Echinococcus granulosus RUN 0.0019 0.0037 0.0038
Plasmodium vivax JmjC domain containing protein 0.0018 0.0021 0.0087
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0019 0.0033 0.0087
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0851 0.624
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0027 0.0151 0.0523
Schistosoma mansoni ap endonuclease 0.0027 0.0151 0.0191
Echinococcus multilocularis phd:f box containing protein 0.0018 0.0021 0.0017
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0019 0.0033 0.0087
Plasmodium falciparum glutathione reductase 0.0055 0.0558 0.6523
Echinococcus multilocularis polycomb protein SCMH1 0.0047 0.0439 0.0577
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP) 0.005 0.0473 0.2601
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0033 0.0281
Plasmodium falciparum thioredoxin reductase 0.0055 0.0558 0.6523
Loa Loa (eye worm) hypothetical protein 0.011 0.1358 0.3402
Brugia malayi hypothetical protein 0.0026 0.0135 0.0339
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Loa Loa (eye worm) hypothetical protein 0.0052 0.0511 0.1268
Onchocerca volvulus 0.0019 0.0037 0.0069
Toxoplasma gondii hypothetical protein 0.0026 0.0132 0.0911
Mycobacterium leprae PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2) 0.0076 0.0851 0.4719
Loa Loa (eye worm) oxidoreductase 0.0018 0.0009 0.0003
Mycobacterium tuberculosis Probable oxidoreductase 0.014 0.1793 0.1785
Schistosoma mansoni lipoxygenase 0.0019 0.0037 0.0038
Brugia malayi Probable ClpP-like protease 0.0076 0.0851 0.214
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0037 0.0038
Echinococcus multilocularis steroid dehydrogenase 0.0018 0.0009 0.0002
Brugia malayi mbt repeat family protein 0.0047 0.0439 0.1104
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.011 0.1358 0.3416
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0154 0.1988 0.265
Loa Loa (eye worm) oxidoreductase 0.0018 0.0009 0.0003
Echinococcus granulosus beta LACTamase domain containing family member 0.011 0.1358 0.1806
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0019 0.0033 0.0083
Plasmodium vivax multidomain scavenger receptor, putative 0.0019 0.0037 0.0204
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0027 0.0151 0.1686
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0019 0.0033 0.0281
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0204 0.2719 1
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0851 1
Brugia malayi beta-lactamase family protein 0.011 0.1358 0.3416
Mycobacterium tuberculosis Probable lipase LipD 0.011 0.1358 0.135
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.1358 1
Echinococcus multilocularis muscleblind protein 1 0.0168 0.2189 0.2919
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0027 0.0151 0.0191
Wolbachia endosymbiont of Brugia malayi ATP-dependent Clp protease proteolytic subunit 0.0076 0.0851 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0019 0.0033 0.0175
Loa Loa (eye worm) beta-lactamase 0.011 0.1358 0.3402
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Onchocerca volvulus 0.011 0.1358 0.34
Plasmodium falciparum glutathione reductase 0.0019 0.0033 0.0281
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Loa Loa (eye worm) PHD-finger family protein 0.002 0.0051 0.0107
Chlamydia trachomatis ATP-dependent Clp protease proteolytic subunit 0.0076 0.0851 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1785 0.2377
Loa Loa (eye worm) hypothetical protein 0.0168 0.2189 0.5497
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Brugia malayi Endonuclease/Exonuclease/phosphatase family protein 0.0291 0.3976 1
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0054 0.0534 0.1343
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0054 0.0534 0.0704
Brugia malayi Retinol dehydrogenase 12 0.0018 0.0009 0.0023
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Brugia malayi Doublecortin family protein 0.0019 0.0037 0.0092
Toxoplasma gondii thioredoxin reductase 0.0055 0.0558 0.407
Echinococcus multilocularis jumonji domain containing 1A 0.0018 0.0021 0.0017
Echinococcus granulosus retinol dehydrogenase 11 0.0018 0.0009 0.0002
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0204 0.2719 0.2712
Loa Loa (eye worm) hypothetical protein 0.011 0.1358 0.3402
Loa Loa (eye worm) hypothetical protein 0.0047 0.0444 0.1098
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0019 0.0033 0.0281
Echinococcus granulosus WW domain containing oxidoreductase 0.0018 0.0009 0.0002
Treponema pallidum ATP-dependent Clp protease proteolytic subunit 0.0076 0.0851 1
Loa Loa (eye worm) glutathione reductase 0.0055 0.0558 0.1387
Echinococcus granulosus lysine specific demethylase 6a 0.0018 0.0021 0.0017
Echinococcus multilocularis lipoxygenase domain containing protein 0.0019 0.0037 0.0038
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.014 0.1793 1
Echinococcus granulosus steroid dehydrogenase 0.0018 0.0009 0.0002
Schistosoma mansoni mixed-lineage leukemia protein mll 0.006 0.0621 0.082
Mycobacterium tuberculosis Probable hydrolase 0.011 0.1358 0.135
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0126 0.1588 0.158
Echinococcus granulosus histone acetyltransferase MYST2 0.0054 0.0534 0.0704
Loa Loa (eye worm) oxidoreductase 0.0018 0.0009 0.0003
Schistosoma mansoni protein phosphatase 2C 0.0018 0.0021 0.0017
Echinococcus granulosus oxidoreductase 0.0018 0.0009 0.0002
Onchocerca volvulus 0.0019 0.0037 0.0069
Schistosoma mansoni carbonyl reductase 0.0018 0.0009 0.0002
Echinococcus multilocularis oxidoreductase 0.0018 0.0009 0.0002
Schistosoma mansoni bromodomain containing protein 0.0068 0.074 0.0979
Echinococcus granulosus neutral sphingomyelinase 0.0291 0.3976 0.5309
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0019 0.0033 0.0087
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0019 0.0033 0.0281
Giardia lamblia Histone acetyltransferase GCN5 0.0041 0.0347 1
Echinococcus granulosus carbonyl reductase 1 0.0018 0.0009 0.0002
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0027 0.0151 0.0523
Onchocerca volvulus Polycomb protein Sfmbt homolog 0.0047 0.0439 0.1084
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Echinococcus multilocularis dnaJ subfamily B 0.0401 0.5571 0.7443
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Mycobacterium leprae Probable lipase LipE 0.011 0.1358 0.7563
Brugia malayi Hypothetical oxidoreductase F56D1.5 0.0018 0.0009 0.0023
Brugia malayi Calcitonin receptor-like protein seb-1 0.0052 0.0511 0.1285
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Echinococcus multilocularis ATP dependent Clp protease proteolytic subunit 0.0076 0.0851 0.1128
Echinococcus granulosus retinol dehydrogenase 11 0.0018 0.0009 0.0002
Plasmodium falciparum ATP-dependent Clp protease proteolytic subunit 0.0026 0.0132 0.146
Echinococcus granulosus fetal alzheimer antigen falz 0.0024 0.0101 0.0125
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Schistosoma mansoni 3-keto-dihydrosphingosine reductase 0.0018 0.0009 0.0002
Loa Loa (eye worm) oxidoreductase 0.0018 0.0009 0.0003
Echinococcus granulosus endonuclease exonuclease phosphatase 0.0199 0.2639 0.352
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Trichomonas vaginalis ap endonuclease, putative 0.0027 0.0151 0.1052
Schistosoma mansoni lipoxygenase 0.0054 0.0545 0.0719
Echinococcus multilocularis histone acetyltransferase MYST2 0.0054 0.0534 0.0704
Loa Loa (eye worm) oxidoreductase 0.0018 0.0009 0.0003
Echinococcus granulosus muscleblind protein 0.0168 0.2189 0.2919
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Echinococcus multilocularis RUN 0.0019 0.0037 0.0038
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0019 0.0033 0.0087
Mycobacterium tuberculosis Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP) 0.005 0.0473 0.0464
Echinococcus multilocularis thioredoxin glutathione reductase 0.0055 0.0558 0.0736
Echinococcus multilocularis JmjC domain containing protein 4 0.0018 0.0021 0.0017
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Plasmodium falciparum ataxin-2 like protein, putative 0.0026 0.0135 0.1493
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Schistosoma mansoni polycystin 1-related 0.0019 0.0037 0.0038
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.011 0.1358 0.135
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Brugia malayi Bromodomain containing protein 0.0042 0.0358 0.0901
Brugia malayi beta-lactamase family protein 0.011 0.1358 0.3416
Loa Loa (eye worm) follicle stimulating hormone receptor 0.0239 0.3219 0.8094
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0019 0.0033 0.0033
Mycobacterium ulcerans lipase LipD 0.011 0.1358 0.4977
Plasmodium falciparum histone acetyltransferase GCN5 0.0041 0.0347 0.4018
Loa Loa (eye worm) short chain dehydrogenase/reductase family oxidoreductase 0.0018 0.0009 0.0003
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0204 0.2719 0.3628
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0052 0.0511 0.1268
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0069 0.0754 0.0998
Plasmodium falciparum JmjC domain-containing protein, putative 0.0018 0.0021 0.0139
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0135 0.0931
Echinococcus multilocularis carbonyl reductase 1 0.0018 0.0009 0.0002
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0126 0.1588 0.8853
Echinococcus multilocularis Polycystic kidney disease protein 0.0019 0.0037 0.0038
Echinococcus multilocularis conserved hypothetical protein 0.0278 0.3789 0.506
Trypanosoma cruzi hypothetical protein, conserved 0.011 0.1358 1
Brugia malayi Dehydrogenases, short chain protein 2 0.0018 0.0009 0.0023
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0126 0.1588 0.158
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0018 0.0021 0.0087
Toxoplasma gondii ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein 0.0076 0.0851 0.624
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0019 0.0033 0.0175
Schistosoma mansoni phd/f-box containing protein 0.0018 0.0021 0.0017
Schistosoma mansoni rab6-interacting 0.0019 0.0037 0.0038
Loa Loa (eye worm) thioredoxin reductase 0.0055 0.0558 0.1387
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Echinococcus multilocularis muscleblind protein 0.0168 0.2189 0.2919
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Onchocerca volvulus 0.0028 0.0163 0.0387
Brugia malayi oxidoreductase 0.0018 0.0009 0.0023
Echinococcus granulosus dnaJ subfamily B 0.0401 0.5571 0.7443
Brugia malayi jmjC domain containing protein 0.0018 0.0021 0.0053
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0019 0.0033 0.0175
Brugia malayi hypothetical protein 0.0018 0.0009 0.0023
Echinococcus granulosus carbonyl reductase 1 0.0018 0.0009 0.0002
Brugia malayi CXXC zinc finger family protein 0.0028 0.0163 0.0409
Echinococcus granulosus geminin 0.0532 0.7481 1
Toxoplasma gondii histone lysine demethylase JMJC1/KDM5D/JARID1D 0.0018 0.0021 0.0087
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Mycobacterium ulcerans ATP-dependent Clp protease proteolytic subunit 0.0076 0.0851 0.3105
Brugia malayi jmjC domain containing protein 0.0018 0.0021 0.0053
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Brugia malayi jmjC domain containing protein 0.0072 0.0805 0.2025
Schistosoma mansoni hypothetical protein 0.03 0.4103 0.548
Loa Loa (eye worm) dehydrogenase 0.0018 0.0009 0.0003
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Trypanosoma cruzi trypanothione reductase, putative 0.0055 0.0558 0.407
Loa Loa (eye worm) hypothetical protein 0.011 0.1358 0.3402
Echinococcus multilocularis steroid dehydrogenase 0.0018 0.0009 0.0002
Plasmodium vivax glutathione reductase, putative 0.0055 0.0558 0.407
Loa Loa (eye worm) hypothetical protein 0.0038 0.0305 0.0749
Loa Loa (eye worm) jmjC domain-containing protein 0.0018 0.0021 0.0033
Echinococcus multilocularis epidermal retinal dehydrogenase 2 0.0018 0.0009 0.0002
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.1358 1
Echinococcus granulosus lipoxygenase domain containing protein 0.0019 0.0037 0.0038
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0036 0.027 0.0351
Loa Loa (eye worm) hypothetical protein 0.0047 0.0439 0.1086
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0022 0.0072 0.0085
Echinococcus multilocularis zinc finger protein 0.0025 0.0113 0.014
Trichomonas vaginalis ap endonuclease, putative 0.0027 0.0151 0.1052
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.0616 0.4498
Loa Loa (eye worm) hypothetical protein 0.0018 0.0009 0.0003
Schistosoma mansoni short chain dehydrogenase 0.0018 0.0009 0.0002
Loa Loa (eye worm) oxidoreductase 0.0018 0.0009 0.0003
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Loa Loa (eye worm) oxidoreductase 0.0018 0.0009 0.0003
Trypanosoma cruzi PAB1-binding protein , putative 0.0026 0.0135 0.0931
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0019 0.0033 0.0033
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.014 0.1785 0.2377
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0204 0.2719 0.3628
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0064 0.0689 0.0911
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.014 0.1793 0.1785
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0024 0.0101 0.0125
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0055 0.0558 0.0549
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.014 0.1793 0.1785
Echinococcus multilocularis Dehydrogenase:reductase SDR family 0.0018 0.0009 0.0002
Trichomonas vaginalis esterase, putative 0.011 0.1358 1
Brugia malayi oxidoreductase, short chain dehydrogenase/reductase family protein 0.0018 0.0009 0.0023
Echinococcus multilocularis lysine specific demethylase 5A 0.0069 0.0754 0.0998
Brugia malayi glutathione reductase 0.0055 0.0558 0.1404
Schistosoma mansoni steroid dehydrogenase 0.0018 0.0009 0.0002
Brugia malayi dehydrogenases, short chain protein 9 0.0018 0.0009 0.0023
Trichomonas vaginalis D-aminoacylase, putative 0.011 0.1358 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0204 0.2719 0.3628
Schistosoma mansoni ap endonuclease 0.0027 0.0151 0.0191
Schistosoma mansoni hypothetical protein 0.002 0.0051 0.0057
Loa Loa (eye worm) hypothetical protein 0.0019 0.0037 0.0072
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0204 0.2719 0.684
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0019 0.0033 0.0175
Plasmodium vivax ATP-dependent Clp protease proteolytic subunit, putative 0.0026 0.0132 0.0911
Entamoeba histolytica acetyltransferase, GNAT family 0.0041 0.0347 1
Onchocerca volvulus Putative neutral sphingomyelinase 0.0291 0.3976 1
Brugia malayi Thioredoxin reductase 0.0055 0.0558 0.1404
Onchocerca volvulus 0.011 0.1358 0.34

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 1 uM Inhibitory concentration against the membrane neutral magnesium-dependent Sphingomyelinase (N-SMase) using rat brain microsomes as the enzyme source ChEMBL. 12781174

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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