Detailed information for compound 1824947

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 254.282 | Formula: C12H18N2O4
  • H donors: 3 H acceptors: 4 LogP: 1.06 Rotable bonds: 9
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCNC1=C(C(=O)C1=O)NCCCC(=O)O
  • InChi: 1S/C12H18N2O4/c1-2-3-6-13-9-10(12(18)11(9)17)14-7-4-5-8(15)16/h13-14H,2-7H2,1H3,(H,15,16)
  • InChiKey: FXBJLCVIXJBMBD-UHFFFAOYSA-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
Echinococcus multilocularis isocitrate dehydrogenase 0.0015 0.0039 0.0038
Loa Loa (eye worm) cytochrome P450 family protein 0.0101 0.055 0.055
Trichomonas vaginalis glucosylceramidase, putative 0.075 0.4383 1
Trichomonas vaginalis glucosylceramidase, putative 0.0492 0.2859 0.6484
Plasmodium vivax holo-[acyl-carrier-protein] synthase, putative 0.0067 0.0349 1
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.006 0.0306 0.0305
Echinococcus granulosus geminin 0.0333 0.1921 0.1921
Loa Loa (eye worm) hypothetical protein 0.027 0.155 0.155
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.0018 0.0058 0.0058
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0156 0.0774
Mycobacterium ulcerans cytochrome P450 136A2 Cyp136A2 0.003 0.0128 0.0526
Trichomonas vaginalis glucosylceramidase, putative 0.075 0.4383 1
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0039 0.0038
Mycobacterium leprae conserved hypothetical protein 0.0067 0.0349 1
Mycobacterium ulcerans cytochrome P450 189A7 Cyp189A7 0.003 0.0128 0.0526
Mycobacterium tuberculosis Probable cytochrome P450 130 Cyp130 0.003 0.0128 0.0588
Mycobacterium ulcerans cytochrome p450 150 cyp150 0.003 0.0128 0.0526
Mycobacterium leprae possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ). 0.0031 0.0134 0.2855
Schistosoma mansoni apoferritin-2 0.0016 0.0049 0.003
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.027 0.155 0.155
Loa Loa (eye worm) isocitrate dehydrogenase 0.0015 0.0039 0.0038
Trypanosoma brucei PAB1-binding protein , putative 0.0025 0.0101 0.0411
Echinococcus granulosus RUN 0.0057 0.0287 0.0286
Brugia malayi O-Glycosyl hydrolase family 30 protein 0.075 0.4383 0.4383
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.0018 0.0058 0.013
Brugia malayi CXXC zinc finger family protein 0.0027 0.011 0.011
Brugia malayi Cytochrome P450 family protein 0.0046 0.0225 0.0225
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.006 0.0306 0.0305
Mycobacterium ulcerans cytochrome P450 142A3 Cyp142A3 0.003 0.0128 0.0526
Echinococcus granulosus NADP dependent isocitrate dehydrogenase 0.0015 0.0039 0.0038
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0156 0.0774
Plasmodium falciparum LCCL domain-containing protein 0.0057 0.0287 0.799
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.006 0.0306 0.0305
Onchocerca volvulus Fxna peptidase homolog 0.027 0.155 0.1456
Plasmodium falciparum holo-[acyl-carrier-protein] synthase, putative 0.0067 0.0349 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.006 0.0306 0.0305
Schistosoma mansoni ferritin light chain 0.0016 0.0049 0.003
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0035 0.0156 0.3352
Mycobacterium tuberculosis Probable lipoprotein aminopeptidase LpqL 0.027 0.155 1
Mycobacterium ulcerans cytochrome P450 108B4 Cyp108B4 0.003 0.0128 0.0526
Trichomonas vaginalis glucosylceramidase, putative 0.075 0.4383 1
Loa Loa (eye worm) hypothetical protein 0.0057 0.0287 0.0286
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0031 0.0134 0.0632
Schistosoma mansoni loxhd1 0.0057 0.0287 0.0269
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.003 0.0128 0.0588
Toxoplasma gondii 4'-phosphopantetheinyl transferase superfamily protein 0.0067 0.0349 0.2052
Mycobacterium ulcerans 4'-phosphopantetheinyl transferase 0.0067 0.0349 0.2
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0058 0.0023
Mycobacterium tuberculosis Probable cytochrome P450 140 Cyp140 0.003 0.0128 0.0588
Toxoplasma gondii hypothetical protein 0.027 0.155 1
Mycobacterium tuberculosis Probable cytochrome P450 128 Cyp128 0.003 0.0128 0.0588
Leishmania major cytochrome p450-like protein 0.0046 0.0225 0.1229
Mycobacterium tuberculosis Probable cytochrome P450 138 Cyp138 0.003 0.0128 0.0588
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0189 0.1071 0.107
Trypanosoma brucei Lanosterol 14-alpha demethylase 0.003 0.0128 0.0588
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0057 0.0289 0.0271
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0239 0.1365 0.1365
Mycobacterium ulcerans cytochrome P450 144A4 Cyp144A4 0.003 0.0128 0.0526
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.0156 0.0247
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0035 0.0156 0.0774
Schistosoma mansoni ap endonuclease 0.0018 0.0058 0.004
Brugia malayi Inositol-1 0.0035 0.0156 0.0156
Echinococcus multilocularis 0.003 0.0128 0.0127
Toxoplasma gondii LsmAD domain-containing protein 0.0025 0.0101 0.0411
Onchocerca volvulus 0.0239 0.1365 0.1269
Toxoplasma gondii 4'-phosphopantetheinyl transferase domain-containing protein 0.0067 0.0349 0.2052
Loa Loa (eye worm) hypothetical protein 0.0057 0.0287 0.0286
Schistosoma mansoni inositol monophosphatase 0.0035 0.0156 0.0138
Brugia malayi hypothetical protein 0.0025 0.0101 0.0101
Echinococcus granulosus L aminoadipate semialdehyde 0.0239 0.1365 0.1365
Onchocerca volvulus 0.027 0.155 0.1456
Mycobacterium tuberculosis holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie 0.0067 0.0349 0.2052
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0339 0.1957 0.1956
Mycobacterium tuberculosis Probable cytochrome P450 132 Cyp132 0.003 0.0128 0.0588
Schistosoma mansoni inositol monophosphatase 0.0035 0.0156 0.0138
Brugia malayi Latrophilin receptor protein 2 0.006 0.0306 0.0306
Trichomonas vaginalis Clan MH, family M28, aminopeptidase S-like metallopeptidase 0.027 0.155 0.3465
Mycobacterium tuberculosis Probable cytochrome P450 139 Cyp139 0.003 0.0128 0.0588
Toxoplasma gondii cytochrome p450 superfamily protein 0.003 0.0128 0.0588
Echinococcus granulosus lipoxygenase domain containing protein 0.0057 0.0287 0.0286
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0239 0.1365 0.1349
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.027 0.155 0.155
Schistosoma mansoni hypothetical protein 0.003 0.0128 0.0109
Schistosoma mansoni cpg binding protein 0.0028 0.0119 0.0101
Schistosoma mansoni hypothetical protein 0.006 0.0306 0.0288
Loa Loa (eye worm) CYP4Cod1 0.0046 0.0225 0.0224
Echinococcus multilocularis ferritin 0.0016 0.0049 0.0048
Echinococcus granulosus GPCR family 2 0.006 0.0306 0.0305
Echinococcus multilocularis GPCR, family 2 0.006 0.0306 0.0305
Schistosoma mansoni hypothetical protein 0.0139 0.0772 0.0754
Schistosoma mansoni hypothetical protein 0.006 0.0306 0.0288
Brugia malayi Cytochrome P450 family protein 0.003 0.0128 0.0128
Echinococcus multilocularis isocitrate dehydrogenase 2 (NADP+) 0.0015 0.0039 0.0038
Echinococcus multilocularis L aminoadipate semialdehyde 0.0239 0.1365 0.1365
Leishmania major cytochrome p450-like protein 0.003 0.0128 0.0588
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0039 0.0038
Loa Loa (eye worm) hypothetical protein 0.027 0.155 0.155
Toxoplasma gondii peptidase, M28 family protein 0.027 0.155 1
Onchocerca volvulus Glucosylceramidase homolog 0.0492 0.2859 0.2779
Trypanosoma brucei glutaminyl cyclase, putative 0.027 0.155 1
Trypanosoma cruzi cytochrome p450-like protein, putative 0.003 0.0128 0.0588
Schistosoma mansoni apoferritin-2 0.0016 0.0049 0.003
Mycobacterium tuberculosis Cytochrome P450 121 Cyp121 0.003 0.0128 0.0588
Trichomonas vaginalis ap endonuclease, putative 0.0018 0.0058 0.0023
Trichomonas vaginalis glucosylceramidase, putative 0.0492 0.2859 0.6484
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.0018 0.0058 0.013
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.0225 0.1229
Echinococcus multilocularis glutaminyl peptide cyclotransferase 0.17 1 1
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0225 0.0224
Schistosoma mansoni ferritin 0.0016 0.0049 0.003
Mycobacterium ulcerans cytochrome P450 187A4 Cyp187A4 0.003 0.0128 0.0526
Schistosoma mansoni ferritin 0.0016 0.0049 0.003
Loa Loa (eye worm) doublecortin family protein 0.0057 0.0287 0.0286
Echinococcus granulosus Polycystic kidney disease protein 0.0057 0.0287 0.0286
Mycobacterium ulcerans cytochrome P450 105Q4 Cyp105Q4 0.003 0.0128 0.0526
Schistosoma mansoni NAALADASE L peptidase (M28 family) 0.027 0.155 0.1535
Mycobacterium tuberculosis Bacterioferritin BfrB 0.0016 0.0049 0.0065
Onchocerca volvulus Huntingtin homolog 0.0115 0.0629 0.0525
Echinococcus granulosus endoplasmic reticulum metallopeptidase 1 0.027 0.155 0.155
Mycobacterium ulcerans cytochrome P450 187A5 Cyp187A5 0.003 0.0128 0.0526
Trichomonas vaginalis inositol monophosphatase, putative 0.0035 0.0156 0.0247
Echinococcus multilocularis inositol monophosphatase 1 0.0035 0.0156 0.0155
Mycobacterium ulcerans cytochrome P450 140A5 Cyp140A5 0.003 0.0128 0.0526
Trichomonas vaginalis glucosylceramidase, putative 0.0492 0.2859 0.6484
Mycobacterium ulcerans cytochrome P450 125A7 Cyp125A7 0.003 0.0128 0.0526
Mycobacterium ulcerans cytochrome P450 143A4 Cyp143A4 0.003 0.0128 0.0526
Mycobacterium tuberculosis Possible cytochrome P450 126 Cyp126 0.003 0.0128 0.0588
Schistosoma mansoni nicalin (M28 family) 0.027 0.155 0.1535
Echinococcus multilocularis RUN 0.0057 0.0287 0.0286
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.0018 0.0058 0.013
Trichomonas vaginalis glucosylceramidase, putative 0.0518 0.3016 0.6845
Loa Loa (eye worm) hypothetical protein 0.068 0.3972 0.3972
Echinococcus multilocularis lipoxygenase domain containing protein 0.0057 0.0287 0.0286
Mycobacterium tuberculosis Probable cytochrome P450 141 Cyp141 0.003 0.0128 0.0588
Loa Loa (eye worm) cytochrome P450 0.003 0.0128 0.0127
Loa Loa (eye worm) O-glycosyl hydrolase family 30 protein 0.075 0.4383 0.4382
Mycobacterium ulcerans cytochrome P450 124A1, Cyp124A1 0.003 0.0128 0.0526
Leishmania major phosphopantetheinyl transferase-like protein 0.0067 0.0349 0.2052
Trypanosoma cruzi glutaminyl cyclase, putative 0.027 0.155 1
Brugia malayi latrophilin 2 splice variant baaae 0.0129 0.0716 0.0716
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.0018 0.0058 0.0058
Mycobacterium ulcerans hypothetical protein 0.027 0.155 1
Loa Loa (eye worm) inositol-1 0.0035 0.0156 0.0155
Onchocerca volvulus 0.0139 0.0772 0.0669
Loa Loa (eye worm) latrophilin receptor protein 2 0.006 0.0306 0.0305
Trypanosoma cruzi cytochrome P450, putative 0.0046 0.0225 0.1229
Brugia malayi isocitrate dehydrogenase 0.0015 0.0039 0.0039
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0156 0.0774
Mycobacterium tuberculosis Probable cytochrome P450 137 Cyp137 0.003 0.0128 0.0588
Mycobacterium tuberculosis Probable bacterioferritin BfrA 0.0016 0.0049 0.0065
Mycobacterium tuberculosis Probable cytochrome P450 monooxygenase 142 Cyp142 0.003 0.0128 0.0588
Schistosoma mansoni ferritin 0.0016 0.0049 0.003
Brugia malayi Isocitrate dehydrogenase 0.0015 0.0039 0.0039
Schistosoma mansoni hypothetical protein 0.006 0.0306 0.0288
Echinococcus granulosus lipoxygenase domain containing protein 0.0057 0.0287 0.0286
Mycobacterium tuberculosis Probable cytochrome P450 136 Cyp136 0.003 0.0128 0.0588
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0189 0.1071 0.1071
Schistosoma mansoni hypothetical protein 0.0129 0.0716 0.0699
Plasmodium vivax ataxin-2 like protein, putative 0.0025 0.0101 0.2003
Loa Loa (eye worm) hypothetical protein 0.0115 0.0629 0.0629
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.0018 0.0058 0.0058
Schistosoma mansoni cpg binding protein 0.0028 0.0119 0.0101
Mycobacterium ulcerans cytochrome P450 123A3 Cyp123A3 0.003 0.0128 0.0526
Plasmodium vivax multidomain scavenger receptor, putative 0.0057 0.0287 0.799
Mycobacterium tuberculosis Probable cytochrome P450 124 Cyp124 0.003 0.0128 0.0588
Schistosoma mansoni rab6-interacting 0.0057 0.0287 0.0269
Loa Loa (eye worm) hypothetical protein 0.0239 0.1365 0.1365
Entamoeba histolytica hypothetical protein 0.0067 0.0349 1
Schistosoma mansoni hypothetical protein 0.006 0.0306 0.0288
Mycobacterium tuberculosis Possible cytochrome P450 135B1 Cyp135B1 0.003 0.0128 0.0588
Schistosoma mansoni survival motor neuron protein 0.0139 0.0772 0.0754
Trichomonas vaginalis conserved hypothetical protein 0.027 0.155 0.3465
Mycobacterium ulcerans cytochrome P450 143A3 Cyp143A3 0.003 0.0128 0.0526
Trichomonas vaginalis glucosylceramidase, putative 0.0492 0.2859 0.6484
Schistosoma mansoni lipoxygenase 0.0237 0.1353 0.1337
Loa Loa (eye worm) cytochrome P450 family protein 0.0046 0.0225 0.0224
Schistosoma mansoni polycystin 1-related 0.0057 0.0287 0.0269
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0139 0.0772 0.0772
Brugia malayi Cytochrome P450 family protein 0.0101 0.055 0.055
Mycobacterium tuberculosis Possible cytochrome P450 135A1 Cyp135A1 0.003 0.0128 0.0588
Mycobacterium leprae Conserved hypothetical protein 0.003 0.0128 0.2632
Onchocerca volvulus Fxna peptidase homolog 0.027 0.155 0.1456
Leishmania major cytochrome p450-like protein 0.003 0.0128 0.0588
Trypanosoma cruzi Lanosterol 14-alpha demethylase 0.003 0.0128 0.0588
Echinococcus granulosus survival motor neuron protein 1 0.068 0.3972 0.3972
Mycobacterium tuberculosis Probable cytochrome P450 144 Cyp144 0.003 0.0128 0.0588
Mycobacterium ulcerans cytochrome P450 150A6 Cyp150A6 0.003 0.0128 0.0526
Trichomonas vaginalis glucosylceramidase, putative 0.075 0.4383 1
Loa Loa (eye worm) hypothetical protein 0.027 0.155 0.155
Onchocerca volvulus Fxna peptidase homolog 0.027 0.155 0.1456
Echinococcus multilocularis cpg binding protein 0.0028 0.0119 0.0119
Loa Loa (eye worm) CXXC zinc finger family protein 0.0027 0.011 0.011
Schistosoma mansoni hypothetical protein 0.0333 0.1921 0.1906
Brugia malayi exodeoxyribonuclease III family protein 0.0018 0.0058 0.0058
Schistosoma mansoni hypothetical protein 0.0057 0.0287 0.0269
Chlamydia trachomatis holo [acyl-carrier protein] synthase 0.0067 0.0349 0.5
Brugia malayi hypothetical protein 0.0016 0.0048 0.0048
Toxoplasma gondii exonuclease III APE 0.0018 0.0058 0.013
Brugia malayi nicalin 0.027 0.155 0.155
Brugia malayi Calcitonin receptor-like protein seb-1 0.0189 0.1071 0.1071
Mycobacterium ulcerans phosphopantetheinyl transferase, PptII 0.0067 0.0349 0.2
Loa Loa (eye worm) hypothetical protein 0.0115 0.0629 0.0629
Toxoplasma gondii histone lysine methyltransferase SET1 0.0051 0.0253 0.1414
Echinococcus multilocularis n acetylated alpha linked acidic dipeptidase 2 0.027 0.155 0.155
Brugia malayi hypothetical protein 0.0115 0.0629 0.0629
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.0018 0.0058 0.013
Mycobacterium ulcerans cytochrome P450 51B1 Cyp51B1 0.003 0.0128 0.0526
Brugia malayi Doublecortin family protein 0.0057 0.0287 0.0287
Leishmania major hypothetical protein, conserved 0.027 0.155 1
Onchocerca volvulus 0.0057 0.0287 0.0178
Brugia malayi hypothetical protein 0.0057 0.0287 0.0287
Mycobacterium ulcerans cytochrome P450 126A3 Cyp126A3 0.003 0.0128 0.0526
Echinococcus granulosus ferritin 0.0016 0.0049 0.0048
Brugia malayi hypothetical protein 0.068 0.3972 0.3972
Echinococcus multilocularis Polycystic kidney disease protein 0.0057 0.0287 0.0286
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0101 0.0411
Brugia malayi cytochrome P450 0.003 0.0128 0.0128
Echinococcus multilocularis geminin 0.0333 0.1921 0.1921
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.0018 0.0058 0.0065
Wolbachia endosymbiont of Brugia malayi 4'-phosphopantetheinyl transferase 0.0067 0.0349 1
Echinococcus multilocularis expressed protein 0.0016 0.0049 0.0048
Schistosoma mansoni lipoxygenase 0.0339 0.1957 0.1942
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0035 0.0156 0.3569
Mycobacterium leprae putative cytochrome p450 0.003 0.0128 0.2632
Treponema pallidum 4'-phosphopantetheinyl transferase 0.0067 0.0349 1
Leishmania major lanosterol 14-alpha-demethylase, putative 0.003 0.0128 0.0588
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0058 0.0631
Echinococcus multilocularis endoplasmic reticulum metallopeptidase 1 0.027 0.155 0.155
Echinococcus granulosus inositol monophosphatase 1 0.0035 0.0156 0.0155
Trypanosoma brucei cytochrome P450, putative 0.0046 0.0225 0.1229
Mycobacterium tuberculosis Probable cytochrome P450 143 Cyp143 0.003 0.0128 0.0588
Trichomonas vaginalis glucosylceramidase, putative 0.0518 0.3016 0.6845
Schistosoma mansoni Fxna peptidase (M28 family) 0.027 0.155 0.1535
Loa Loa (eye worm) hypothetical protein 0.027 0.155 0.155
Mycobacterium ulcerans lipoprotein aminopeptidase LpqL 0.027 0.155 1
Schistosoma mansoni rab6-interacting 0.0057 0.0287 0.0269
Mycobacterium tuberculosis Conserved protein 0.027 0.155 1
Trichomonas vaginalis glucosylceramidase, putative 0.0492 0.2859 0.6484
Mycobacterium ulcerans cytochrome P450 188A3 Cyp188A3 0.003 0.0128 0.0526
Leishmania major glutaminyl cyclase, putative 0.027 0.155 1
Schistosoma mansoni ferritin light chain 0.0016 0.0049 0.003
Loa Loa (eye worm) hypothetical protein 0.0025 0.0101 0.01
Brugia malayi hypothetical protein 0.0057 0.0287 0.0287
Echinococcus granulosus expressed protein 0.0016 0.0049 0.0048
Echinococcus granulosus cpg binding protein 0.0028 0.0119 0.0119
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.0759 0.4439 0.4439
Loa Loa (eye worm) leucyl aminopeptidase 0.027 0.155 0.155
Trypanosoma cruzi glutaminyl cyclase, putative 0.027 0.155 1
Schistosoma mansoni glutaminyl-peptide cyclotransferase-related 0.027 0.155 0.1535
Loa Loa (eye worm) hypothetical protein 0.006 0.0306 0.0305
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0101 0.2003
Mycobacterium tuberculosis Probable cytochrome P450 125 Cyp125 0.003 0.0128 0.0588
Mycobacterium ulcerans cytochrome P450 191A3 Cyp191A3 0.003 0.0128 0.0526
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.0018 0.0058 0.5
Schistosoma mansoni cytochrome P450 0.003 0.0128 0.0109
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.006 0.0306 0.0306
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0035 0.0156 0.0774
Onchocerca volvulus 0.0057 0.0287 0.0178
Echinococcus multilocularis NADP dependent isocitrate dehydrogenase 0.0015 0.0039 0.0038
Mycobacterium tuberculosis Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM) 0.003 0.0128 0.0588
Echinococcus granulosus Ataxin 2 N terminaldomain containing protein 0.0011 0.0019 0.0018
Schistosoma mansoni ap endonuclease 0.0018 0.0058 0.004
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.0018 0.0058 0.0326
Loa Loa (eye worm) hypothetical protein 0.0016 0.0048 0.0048
Treponema pallidum exodeoxyribonuclease (exoA) 0.0018 0.0058 0.0326
Loa Loa (eye worm) hypothetical protein 0.0189 0.1071 0.107
Brugia malayi Cytochrome P450 family protein 0.0046 0.0225 0.0225
Onchocerca volvulus Huntingtin homolog 0.0115 0.0629 0.0525
Schistosoma mansoni cpg binding protein 0.0027 0.011 0.0092
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0035 0.0156 0.0714
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.0018 0.0058 0.013
Trichomonas vaginalis glucosylceramidase, putative 0.0492 0.2859 0.6484
Echinococcus granulosus cytochrome P450 2K1 0.003 0.0128 0.0127
Brugia malayi leucyl aminopeptidase 0.027 0.155 0.155
Trichomonas vaginalis conserved hypothetical protein 0.027 0.155 0.3465
Echinococcus granulosus glutaminyl peptide cyclotransferase 0.17 1 1
Loa Loa (eye worm) hypothetical protein 0.0129 0.0716 0.0716
Onchocerca volvulus Glutaminyl cyclase homolog 0.17 1 1
Trichomonas vaginalis glucosylceramidase, putative 0.0492 0.2859 0.6484
Schistosoma mansoni hypothetical protein 0.0333 0.1921 0.1906
Brugia malayi FXNA 0.027 0.155 0.155
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0046 0.0225 0.1172
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0339 0.1957 0.1956
Mycobacterium tuberculosis Probable cytochrome P450 123 Cyp123 0.003 0.0128 0.0588
Schistosoma mansoni ferritin 0.0016 0.0049 0.003
Plasmodium falciparum ataxin-2 like protein, putative 0.0025 0.0101 0.2003
Trichomonas vaginalis glucosylceramidase, putative 0.075 0.4383 1
Loa Loa (eye worm) hypothetical protein 0.17 1 1
Schistosoma mansoni glutaminyl cyclase (M28 family) 0.17 1 1
Trichomonas vaginalis conserved hypothetical protein 0.027 0.155 0.3465
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.0018 0.0058 0.0631
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0035 0.0156 0.0247
Echinococcus multilocularis survival motor neuron protein 1 0.068 0.3972 0.3972
Schistosoma mansoni NADP-specific isocitrate dehydrogenase 0.0015 0.0039 0.002
Echinococcus multilocularis Ataxin 2, N terminal,domain containing protein 0.0011 0.0019 0.0018
Echinococcus multilocularis lipoxygenase domain containing protein 0.0057 0.0287 0.0286
Trypanosoma cruzi PAB1-binding protein , putative 0.0025 0.0101 0.0411
Trichomonas vaginalis glucosylceramidase, putative 0.075 0.4383 1
Leishmania major hypothetical protein, conserved 0.0025 0.0101 0.0411
Trypanosoma brucei hypothetical protein, conserved 0.0067 0.0349 0.2052

Activities

Activity type Activity value Assay description Source Reference
IC50 (functional) = 17.3 uM Antitrypanosomal activity against epimastigote stage of Trypanosoma cruzi IRHOD/CO/2008/SN3 assessed as parasite growth inhibition after 72 hrs by Neubauer hemocytometric chamber analysis ChEMBL. 24410674
IC50 (functional) = 66.9 uM Antitrypanosomal activity against amastigote stage of Trypanosoma cruzi IRHOD/CO/2008/SN3 infected in African green monkey Vero cells assessed as parasite growth inhibition after 72 hrs by Giemsa staining-based microscopic analysis ChEMBL. 24410674

Phenotypes

Whole-cell/tissue/organism interactions

Species name Source Reference Is orphan
Trypanosoma cruzi ChEMBL23 24410674

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.

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