Detailed information for compound 1729454

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 337.841 | Formula: C18H24ClNO3
  • H donors: 1 H acceptors: 1 LogP: 5.55 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCC(CNc1ccc2c(c1)c(=O)oc(c2Cl)OC)CC
  • InChi: 1S/C18H24ClNO3/c1-4-6-7-12(5-2)11-20-13-8-9-14-15(10-13)17(21)23-18(22-3)16(14)19/h8-10,12,20H,4-7,11H2,1-3H3
  • InChiKey: ZQDZTUAZDXROPL-UHFFFAOYSA-N  


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Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0053 0.0051
Trichomonas vaginalis conserved hypothetical protein 0.0049 0.0061 0.2469
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.011 0.0108
Loa Loa (eye worm) hypothetical protein 0.0123 0.0212 0.0442
Loa Loa (eye worm) hypothetical protein 0.0071 0.0105 0.0216
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.0254 0.4109
Entamoeba histolytica hypothetical protein 0.0073 0.011 0.4403
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0105 0.1403
Echinococcus multilocularis FKBP12 rapamycin complex associated protein 0.0045 0.0054 0.0052
Trypanosoma brucei DNA polymerase beta thumb, putative 0.0043 0.0049 0.084
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0011 0.0004
Loa Loa (eye worm) RNA binding protein 0.0063 0.009 0.0185
Schistosoma mansoni tar DNA-binding protein 0.0063 0.009 0.0088
Trypanosoma brucei mitochondrial DNA polymerase beta 0.0305 0.058 1
Loa Loa (eye worm) hypothetical protein 0.0123 0.0212 0.0442
Trypanosoma cruzi cruzipain precursor, putative 0.0064 0.0092 0.1179
Brugia malayi RNA binding protein 0.0063 0.009 0.0185
Toxoplasma gondii hypothetical protein 0.0123 0.0212 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0017 0.0268
Mycobacterium tuberculosis Probable reductase 0.0212 0.0393 0.4306
Schistosoma mansoni tar DNA-binding protein 0.0063 0.009 0.0088
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0032 0.0027 0.0469
Loa Loa (eye worm) hypothetical protein 0.0071 0.0105 0.0216
Echinococcus multilocularis ubiquitin specific protease 41 0.0049 0.0061 0.0059
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.0084 0.1032
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0035 0.1175
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0212 0.0393 0.4306
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0011 0.0004
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0071 0.0105 0.0216
Echinococcus granulosus beta LACTamase domain containing family member 0.0071 0.0105 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0084 0.1453
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0051 0.0066 0.0134
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0045 0.0053 0.0107
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0049 0.0061 0.0059
Echinococcus multilocularis sphingomyelin synthase protein 1 0.0123 0.0212 0.021
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0035 0.1175
Brugia malayi Smad1 0.0041 0.0045 0.0091
Onchocerca volvulus 0.0071 0.0105 0.0809
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.0084 0.1032
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0053 0.0051
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.004 0.0043 0.0292
Echinococcus multilocularis Mitotic checkpoint protein PRCC, C terminal 0.0247 0.0463 0.0461
Trypanosoma brucei DNA polymerase IV, putative 0.006 0.0084 0.1453
Mycobacterium ulcerans DNA polymerase IV 0.006 0.0084 0.2193
Brugia malayi hypothetical protein 0.03 0.0571 0.1197
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0123 0.0212 0.3341
Brugia malayi ImpB/MucB/SamB family protein 0.0034 0.003 0.0059
Trypanosoma cruzi trypanothione reductase, putative 0.0093 0.0151 0.2232
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0084 0.1453
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0049 0.0061 0.2469
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Echinococcus granulosus mothers against decapentaplegic 5 0.0041 0.0045 0.0043
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.0084 0.1032
Loa Loa (eye worm) hypothetical protein 0.2364 0.4755 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0063 0.009 0.0185
Echinococcus granulosus dna polymerase kappa 0.006 0.0084 0.0082
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.058 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.011 0.0108
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.003 0.0939
Brugia malayi MH2 domain containing protein 0.0604 0.1186 0.2491
Brugia malayi Thioredoxin reductase 0.0093 0.0151 0.0313
Schistosoma mansoni tar DNA-binding protein 0.0063 0.009 0.0088
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Mycobacterium tuberculosis Conserved hypothetical protein 0.0034 0.003 0.0031
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0084 0.1453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0016 0.0241
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0049 0.0061 0.0609
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0084 0.1453
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0024 0.001 0.0017
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Brugia malayi polk-prov protein 0.0037 0.0037 0.0074
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0236 0.0441 1
Toxoplasma gondii target of rapamycin (TOR), putative 0.0034 0.003 0.0162
Trypanosoma cruzi mitochondrial DNA polymerase beta, putative 0.0305 0.058 1
Plasmodium falciparum sphingomyelin synthase 2, putative 0.0123 0.0212 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0105 0.0103
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Brugia malayi Sphingomyelin synthase-related 1 0.0123 0.0212 0.0442
Echinococcus multilocularis dna polymerase kappa 0.006 0.0084 0.0082
Mycobacterium tuberculosis Conserved protein 0.0071 0.0105 0.0915
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0049 0.0389
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Leishmania major cathepsin L-like protease 0.0064 0.0092 0.1179
Giardia lamblia DINP protein human, muc B family 0.004 0.0043 0.479
Leishmania major target of rapamycin (TOR) kinase 1, putative 0.0045 0.0054 0.048
Loa Loa (eye worm) hypothetical protein 0.0071 0.0105 0.0216
Trypanosoma brucei unspecified product 0.0054 0.0071 0.122
Echinococcus granulosus tumor protein p63 0.4416 0.8918 0.8917
Loa Loa (eye worm) thioredoxin reductase 0.0093 0.0151 0.0313
Trichomonas vaginalis esterase, putative 0.0071 0.0105 0.4658
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0071 0.0105 0.0915
Trypanosoma brucei hypothetical protein, conserved 0.0071 0.0105 0.1807
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0071 0.0105 0.2981
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0054 0.2114
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0071 0.0105 0.0216
Trichomonas vaginalis PIKK family atypical protein kinase 0.003 0.0023 0.0604
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0105 0.4658
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0037 0.0644
Echinococcus multilocularis mothers against decapentaplegic 5 0.0041 0.0045 0.0043
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0123 0.0212 1
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0084 0.1453
Entamoeba histolytica hypothetical protein 0.0073 0.011 0.4403
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0016 0.0241
Brugia malayi TAR-binding protein 0.0063 0.009 0.0185
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0123 0.0212 1
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0022 0.0383
Schistosoma mansoni thyroid hormone receptor 0.0267 0.0503 0.0501
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.003 0.0939
Loa Loa (eye worm) hypothetical protein 0.0071 0.0105 0.0216
Schistosoma mansoni smad 0.0041 0.0045 0.0043
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0123 0.0212 0.3654
Leishmania major cathepsin L-like protease 0.0064 0.0092 0.1179
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0123 0.0212 0.0442
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0212 0.0393 0.4306
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.003 0.0939
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0027 0.5
Leishmania major mitochondrial DNA polymerase beta 0.0305 0.058 1
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0049 0.0061 1
Loa Loa (eye worm) phosphatidylinositol 3 0.0045 0.0054 0.0109
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0123 0.0212 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0054 0.2114
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0105 0.4658
Mycobacterium tuberculosis Probable lipase LipE 0.0071 0.0105 0.0915
Entamoeba histolytica phosphatidylinositol3-kinaseTor2, putative 0.0045 0.0054 0.1315
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0144 0.0254 0.4109
Loa Loa (eye worm) hypothetical protein 0.0123 0.0212 0.0442
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0045 0.0053 0.0107
Trichomonas vaginalis PIKK family atypical protein kinase 0.0039 0.004 0.1443
Loa Loa (eye worm) transcription factor SMAD2 0.0604 0.1186 0.2491
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0059 0.0081 0.0974
Echinococcus multilocularis tumor protein p63 0.4416 0.8918 0.8917
Schistosoma mansoni hypothetical protein 0.0035 0.0033 0.0031
Plasmodium falciparum sphingomyelin synthase 1, putative 0.0123 0.0212 1
Mycobacterium tuberculosis Conserved protein 0.0071 0.0105 0.0915
Mycobacterium ulcerans esterase/lipase LipP 0.0071 0.0105 0.2981
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0451 0.0876 1
Brugia malayi RNA recognition motif domain containing protein 0.0063 0.009 0.0185
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0049 0.0061 0.0059
Trypanosoma brucei Phosphatidylinositol 3-kinase tor1 0.0045 0.0054 0.0927
Echinococcus granulosus thioredoxin glutathione reductase 0.0093 0.0151 0.0149
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.0287 0.3068
Echinococcus granulosus tar DNA binding protein 0.0063 0.009 0.0088
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0144 0.0254 0.4386
Leishmania major cathepsin L-like protease 0.0064 0.0092 0.1179
Treponema pallidum NADH oxidase 0.0032 0.0027 0.5
Leishmania major phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0123 0.0212 0.3341
Trypanosoma cruzi major cysteine proteinase, putative 0.0051 0.0064 0.0673
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.003 0.0939
Echinococcus multilocularis tar DNA binding protein 0.0063 0.009 0.0088
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0049 0.0061 0.0059
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Brugia malayi MH1 domain containing protein 0.0041 0.0045 0.0091
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.011 0.0108
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0022 0.0383
Echinococcus multilocularis dna polymerase eta 0.0034 0.003 0.0028
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0035 0.1175
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.004 0.0043 0.019
Entamoeba histolytica hypothetical protein 0.0123 0.0212 1
Trypanosoma cruzi DNA polymerase beta thumb, putative 0.0043 0.0049 0.0389
Echinococcus granulosus Smad4 0.0041 0.0045 0.0043
Brugia malayi MH2 domain containing protein 0.0041 0.0045 0.0091
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0049 0.0061 0.2469
Brugia malayi ImpB/MucB/SamB family protein 0.0034 0.003 0.0059
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 2 0.0123 0.0212 0.0442
Trichomonas vaginalis PIKK family atypical protein kinase 0.0029 0.0022 0.0505
Mycobacterium ulcerans lipase LipD 0.0071 0.0105 0.2981
Mycobacterium tuberculosis Probable oxidoreductase 0.0236 0.0441 0.4873
Schistosoma mansoni terminal deoxycytidyl transferase 0.0034 0.003 0.0028
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0084 0.1453
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0035 0.1175
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0034 0.003 0.0059
Trypanosoma brucei target of rapamycin kinase 3, putative 0.0036 0.0035 0.0604
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0034 0.003 0.0028
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0032 0.0027 0.0053
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0071 0.0105 0.0915
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0049 0.0061 0.0609
Trypanosoma brucei phosphatidylinositol 3-kinase tor, putative 0.0021 0.0005 0.0091
Schistosoma mansoni thyroid hormone receptor 0.0267 0.0503 0.0501
Toxoplasma gondii ABC1 family protein 0.0071 0.0105 0.42
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0053 0.0051
Loa Loa (eye worm) hypothetical protein 0.0023 0.0008 0.0012
Trypanosoma brucei inositol phosphorylceramide synthase 0.0123 0.0212 0.3654
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0032 0.0027 0.0025
Echinococcus granulosus smad 0.0041 0.0045 0.0043
Echinococcus granulosus Mitotic checkpoint protein PRCC C terminal 0.0247 0.0463 0.0461
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0053 0.0051
Brugia malayi hypothetical protein 0.0073 0.011 0.0227
Schistosoma mansoni hypothetical protein 0.0247 0.0463 0.0461
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0032 0.0027 0.0025
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Brugia malayi beta-lactamase family protein 0.0071 0.0105 0.0216
Trichomonas vaginalis glutathione reductase, putative 0.0032 0.0027 0.079
Plasmodium falciparum thioredoxin reductase 0.0093 0.0151 0.668
Trypanosoma brucei DNA polymerase kappa, putative 0.004 0.0043 0.0747
Trypanosoma cruzi sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0123 0.0212 0.3341
Entamoeba histolytica hypothetical protein 0.0123 0.0212 1
Echinococcus multilocularis smad 0.0041 0.0045 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0011 0.0004
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0027 0.0469
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.006 0.0084 0.3635
Plasmodium vivax glutathione reductase, putative 0.0093 0.0151 0.668
Leishmania major DNA polymerase eta, putative 0.0034 0.003 0.0047
Trichomonas vaginalis mercuric reductase, putative 0.0032 0.0027 0.079
Echinococcus multilocularis beta LACTamase domain containing family member 0.0071 0.0105 0.0103
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0017 0.0268
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor2 0.0045 0.0054 0.048
Entamoeba histolytica hypothetical protein 0.0073 0.011 0.4403
Loa Loa (eye worm) MH1 domain-containing protein 0.0041 0.0045 0.0091
Entamoeba histolytica hypothetical membrane-spanning protein 0.0123 0.0212 1
Plasmodium vivax sphingomyelin synthase 2, putative 0.0123 0.0212 1
Trypanosoma brucei trypanothione reductase 0.0093 0.0151 0.2597
Onchocerca volvulus 0.0071 0.0105 0.0809
Trypanosoma brucei DNA polymerase eta, putative 0.0034 0.003 0.0515
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0034 0.003 0.0028
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 3 0.0123 0.0212 0.0442
Trichomonas vaginalis penicillin-binding protein, putative 0.0071 0.0105 0.4658
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0212 0.0393 0.4306
Onchocerca volvulus 0.0071 0.0105 0.0809
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0049 0.0061 0.105
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.003 0.0939
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0032 0.0027 0.0469
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0105 0.4658
Brugia malayi MH1 domain containing protein 0.0023 0.0008 0.0012
Schistosoma mansoni smad1 5 8 and 0.0041 0.0045 0.0043
Brugia malayi MH1 domain containing protein 0.0041 0.0045 0.0091
Plasmodium falciparum glutathione reductase 0.0093 0.0151 0.668
Echinococcus multilocularis thioredoxin glutathione reductase 0.0093 0.0151 0.0149
Echinococcus multilocularis ubiquitin carboxyl terminal hydrolase 8 0.0049 0.0061 0.0059
Loa Loa (eye worm) hypothetical protein 0.0071 0.0105 0.0216
Entamoeba histolytica hypothetical protein 0.0123 0.0212 1
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0068 0.0733
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.0123 0.0212 0.0442
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0032 0.0027 0.0469
Trichomonas vaginalis D-aminoacylase, putative 0.0071 0.0105 0.4658
Brugia malayi glutathione reductase 0.0093 0.0151 0.0313
Trypanosoma brucei DNA polymerase IV, putative 0.006 0.0084 0.1453
Loa Loa (eye worm) hypothetical protein 0.0123 0.0212 0.0442
Loa Loa (eye worm) hypothetical protein 0.0071 0.0105 0.0216
Mycobacterium tuberculosis Probable dehydrogenase 0.0212 0.0393 0.4306
Loa Loa (eye worm) beta-lactamase 0.0071 0.0105 0.0216
Schistosoma mansoni Smad4 0.0041 0.0045 0.0043
Mycobacterium tuberculosis Probable esterase LipL 0.0071 0.0105 0.0915
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0032 0.0027 0.5
Trichomonas vaginalis DNA polymerase eta, putative 0.006 0.0084 0.3635
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0051 0.0066 0.0134
Loa Loa (eye worm) hypothetical protein 0.0035 0.0033 0.0065
Leishmania major DNA polymerase kappa, putative 0.004 0.0043 0.0292
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0032 0.0027 0.5
Brugia malayi Phosphatidylinositol 3- and 4-kinase family protein 0.0045 0.0054 0.0109
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0092 0.1179
Trypanosoma brucei unspecified product 0.0023 0.0009 0.015
Echinococcus granulosus TGF beta signal transducer SmadC 0.0041 0.0045 0.0043
Leishmania major hypothetical protein, conserved 0.0071 0.0105 0.1403
Schistosoma mansoni ataxia telangiectasia mutated (atm)-related 0.0045 0.0054 0.0052
Loa Loa (eye worm) hypothetical protein 0.0037 0.0037 0.0074
Trypanosoma cruzi target of rapamycin kinase 3 0.0036 0.0035 0.0141
Schistosoma mansoni smad1 5 8 and 0.0041 0.0045 0.0043
Trichomonas vaginalis PIKK family atypical protein kinase 0.0024 0.0011 0.0004
Leishmania major target of rapamycin (TOR) kinase 2, putative 0.0045 0.0054 0.048
Mycobacterium tuberculosis Conserved protein 0.0071 0.0105 0.0915
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.003 0.0939
Trichomonas vaginalis hypothetical protein 0.0123 0.0212 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0045 0.0053 0.0051
Echinococcus multilocularis TGF beta signal transducer SmadC 0.0041 0.0045 0.0043
Trypanosoma brucei sphingomyelin/ceramide phosphorylethanolamine synthase, bifunctional 0.0123 0.0212 0.3654
Entamoeba histolytica hypothetical protein 0.0123 0.0212 1
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0092 0.1179
Loa Loa (eye worm) MH2 domain-containing protein 0.0604 0.1186 0.2491
Onchocerca volvulus 0.0646 0.1273 1
Trypanosoma brucei DNA polymerase kappa, putative 0.003 0.0022 0.0383
Brugia malayi beta-lactamase 0.0071 0.0105 0.0216
Mycobacterium tuberculosis Probable hydrolase 0.0071 0.0105 0.0915
Schistosoma mansoni smad1 5 8 and 0.0041 0.0045 0.0043
Brugia malayi beta-lactamase family protein 0.0071 0.0105 0.0216
Echinococcus multilocularis thyroid hormone receptor alpha 0.0267 0.0503 0.0501
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Brugia malayi latrophilin 2 splice variant baaae 0.0035 0.0033 0.0065
Loa Loa (eye worm) nuclear factor I 0.0023 0.0008 0.0012
Toxoplasma gondii thioredoxin reductase 0.0093 0.0151 0.668
Leishmania major trypanothione reductase 0.0093 0.0151 0.2232
Trichomonas vaginalis PIKK family atypical protein kinase 0.0036 0.0035 0.1175
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0212 0.0393 0.4306
Loa Loa (eye worm) Smad1 0.0041 0.0045 0.0091
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0064 0.0092 0.1593
Plasmodium vivax hypothetical protein, conserved 0.0071 0.0105 0.42
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0084 0.1453
Loa Loa (eye worm) hypothetical protein 0.0049 0.0061 0.0124
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.003 0.0047
Loa Loa (eye worm) MH2 domain-containing protein 0.0041 0.0045 0.0091
Schistosoma mansoni TGF-beta signal transducer Smad2 0.0041 0.0045 0.0043
Trypanosoma cruzi DNA polymerase kappa, putative 0.006 0.0084 0.1032
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0024 0.001 0.0017
Toxoplasma gondii hypothetical protein 0.0049 0.0062 0.1856
Trichomonas vaginalis PIKK family atypical protein kinase 0.0034 0.003 0.0939
Loa Loa (eye worm) hypothetical protein 0.0646 0.1273 0.2673
Echinococcus granulosus FKBP12 rapamycin complex associated protein 0.0045 0.0054 0.0052
Brugia malayi MH1 domain containing protein 0.0023 0.0008 0.0012
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0084 0.1453
Trypanosoma brucei DNA polymerase IV, putative 0.0054 0.0071 0.122
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0093 0.0151 0.1455
Schistosoma mansoni tar DNA-binding protein 0.0063 0.009 0.0088
Mycobacterium ulcerans hypothetical protein 0.0071 0.0105 0.2981
Mycobacterium ulcerans hypothetical protein 0.0161 0.0287 1
Leishmania major target of rapamycin kinase (TOR) kinase 3 0.0036 0.0035 0.0141
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0049 0.0061 0.0059
Entamoeba histolytica hypothetical protein 0.0073 0.011 0.4403
Schistosoma mansoni hypothetical protein 0.0073 0.011 0.0108
Loa Loa (eye worm) hypothetical protein 0.0051 0.0066 0.0134
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0236 0.0441 0.4873
Loa Loa (eye worm) TAR-binding protein 0.0063 0.009 0.0185
Trypanosoma cruzi hypothetical protein, conserved 0.0071 0.0105 0.1403
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0071 0.0105 0.0915
Trypanosoma cruzi cysteine peptidase, putative 0.0064 0.0092 0.1179
Echinococcus granulosus ubiquitin specific protease 41 0.0049 0.0061 0.0059
Plasmodium vivax thioredoxin reductase, putative 0.0093 0.0151 0.668
Loa Loa (eye worm) hypothetical protein 0.0123 0.0212 0.0442
Brugia malayi Calcitonin receptor-like protein seb-1 0.0051 0.0066 0.0134
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0045 0.0053 0.0051
Trypanosoma brucei DNA polymerase kappa, putative 0.006 0.0084 0.1453
Loa Loa (eye worm) hypothetical protein 0.03 0.0571 0.1197
Schistosoma mansoni cellular tumor antigen P53 0.0646 0.1273 0.1271
Trypanosoma brucei unspecified product 0.0023 0.0009 0.015
Schistosoma mansoni DNA polymerase eta 0.0034 0.003 0.0028
Brugia malayi MH2 domain containing protein 0.0041 0.0045 0.0091
Entamoeba histolytica hypothetical protein 0.0123 0.0212 1
Trichomonas vaginalis PIKK family atypical protein kinase 0.0027 0.0017 0.0268
Trypanosoma brucei phosphatidylinositol 4-kinase, putative 0.0045 0.0054 0.0927
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0049 0.0061 0.0609
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0034 0.003 0.0028
Echinococcus granulosus sphingomyelin synthase protein 1 0.0123 0.0212 0.021
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0236 0.0441 0.4873
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0049 0.0061 0.1705
Schistosoma mansoni tar DNA-binding protein 0.0063 0.009 0.0088
Giardia lamblia GTOR 0.0045 0.0054 0.7887
Loa Loa (eye worm) glutathione reductase 0.0093 0.0151 0.0313
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0123 0.0212 1
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0032 0.0027 0.0025
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0049 0.0061 0.0124
Trypanosoma cruzi Phosphatidylinositol 3-kinase tor1 0.0045 0.0054 0.048
Mycobacterium tuberculosis Probable lipase LipD 0.0071 0.0105 0.0915
Trichomonas vaginalis PIKK family atypical protein kinase 0.0045 0.0054 0.2114
Loa Loa (eye worm) hypothetical protein 0.0034 0.003 0.0059
Trypanosoma brucei ceramide phosphorylethanolamine synthase 0.0123 0.0212 0.3654
Brugia malayi Phosphatidylcholine:ceramide cholinephosphotransferase 1 0.2364 0.4755 1
Onchocerca volvulus 0.03 0.0571 0.4476
Trichomonas vaginalis conserved hypothetical protein 0.0123 0.0212 1
Schistosoma mansoni spingomyelin synthetase-related 0.0123 0.0212 0.021
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0045 0.0053 0.0051
Plasmodium vivax sphingomyelin synthase 1, putative 0.0123 0.0212 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0049 0.0061 0.0059
Trichomonas vaginalis sphingomyelin synthetase, putative 0.0123 0.0212 1
Mycobacterium ulcerans DNA polymerase IV 0.006 0.0084 0.2193
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0212 0.0393 0.8569
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0071 0.0105 0.0103
Trypanosoma brucei DNA polymerase kappa, putative 0.0037 0.0037 0.0644
Echinococcus granulosus dna polymerase eta 0.0034 0.003 0.0028
Entamoeba histolytica FKBP-rapamycin associated protein (FRAP), putative 0.0045 0.0054 0.1315
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0043 0.0049 0.0389
Mycobacterium ulcerans beta-lactamase 0.0071 0.0105 0.2981
Echinococcus multilocularis Smad4 0.0041 0.0045 0.0043

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) > 50 % Inhibition of gamma-secretase-mediated betaAPP K670N/M671L mutant cleavage in HEK293 cells assessed as inhibition of amyloid beta40/42 production at 10 to 30 uM after 8 hrs by chemiluminescence assay relative to control ChEMBL. 23294826

Phenotypes

Whole-cell/tissue/organism interactions

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

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

Annotated phenotypes:

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

External resources for this compound

Bibliographic References

1 literature reference was collected for this gene.

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