Detailed information for compound 301549

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 245.32 | Formula: C14H19N3O
  • H donors: 2 H acceptors: 2 LogP: 2.94 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCCCc1nc2c([nH]1)ccc(c2)NC(=O)C
  • InChi: 1S/C14H19N3O/c1-3-4-5-6-14-16-12-8-7-11(15-10(2)18)9-13(12)17-14/h7-9H,3-6H2,1-2H3,(H,15,18)(H,16,17)
  • InChiKey: JOGVEJFWNMYIGL-UHFFFAOYSA-N  

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
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0066 0.0414
Loa Loa (eye worm) hypothetical protein 0.0038 0.0273 0.1351
Trypanosoma cruzi cAMP binding protein, putative 0.0006 0.001 0.0105
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0036 0.0147
Schistosoma mansoni voltage-gated potassium channel 0.0009 0.0034 0.021
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA10 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0035 0.0252 0.1571
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Brugia malayi Hypothetical UPF0028 protein ZK370.4 in chromosome III, putative 0.0006 0.001 0.0018
Schistosoma mansoni voltage-gated potassium channel 0.0007 0.0019 0.012
Trypanosoma cruzi trifunctional enzyme alpha subunit, mitochondrial precursor-like protein, putative 0.001 0.0043 0.1077
Leishmania major 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor-like protein 0.001 0.0043 0.1077
Plasmodium vivax rap guanine nucleotide exchange factor, putative 0.0006 0.001 0.0105
Leishmania major cyclic nucleotide-binding protein-like protein 0.0006 0.001 0.0105
Echinococcus granulosus neuropeptide s receptor 0.0465 0.3775 1
Mycobacterium ulcerans enoyl-CoA hydratase, EchA1 0.001 0.0043 0.0037
Plasmodium falciparum nitric oxide synthase, putative 0.0047 0.0346 1
Mycobacterium ulcerans naphthoate synthase 0.1225 1 1
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0013 0.0066 0.0159
Schistosoma mansoni lamin 0.0032 0.0224 0.1397
Trypanosoma brucei cytochrome P450, putative 0.0013 0.0067 0.1765
Giardia lamblia CAMP-dependent protein kinase regulatory chain 0.0006 0.001 0.012
Toxoplasma gondii flavodoxin domain-containing protein 0.0023 0.0153 0.6083
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0006 0.001 0.0063
Loa Loa (eye worm) hypothetical protein 0.0009 0.0037 0.0153
Brugia malayi FAD binding domain containing protein 0.0029 0.02 0.098
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0394
Mycobacterium ulcerans enoyl-CoA hydratase, EchA8 0.001 0.0043 0.0037
Mycobacterium tuberculosis Probable conserved transmembrane transport protein 0.0006 0.001 0.0004
Brugia malayi ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0036 0.0147
Trypanosoma cruzi 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Echinococcus granulosus potassium voltage gated channel subfamily H 0.0044 0.032 0.0832
Mycobacterium tuberculosis Conserved hypothetical protein 0.0006 0.001 0.0004
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0006 0.001 0.0063
Mycobacterium ulcerans hypothetical protein 0.0006 0.001 0.0004
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0018 0.011 0.0443
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0047 0.0346 1
Onchocerca volvulus 0.028 0.2255 1
Echinococcus granulosus lamin dm0 0.0032 0.0224 0.0577
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Mycobacterium tuberculosis Probable glutamine-transport ATP-binding protein ABC transporter GlnQ 0.0006 0.001 0.0004
Echinococcus granulosus ATP dependent DNA helicase Q1 0.0009 0.0036 0.0077
Mycobacterium tuberculosis Conserved hypothetical protein 0.0006 0.001 0.0004
Echinococcus multilocularis cAMP dependent protein kinase regulatory 0.0006 0.001 0.0009
Echinococcus multilocularis neuropeptide s receptor 0.0465 0.3775 1
Trichomonas vaginalis set domain proteins, putative 0.028 0.2255 1
Onchocerca volvulus 0.0006 0.001 0.0016
Schistosoma mansoni serine/threonine protein kinase 0.0006 0.001 0.0063
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA3 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Trypanosoma cruzi cAMP response protein 1, putative 0.0006 0.001 0.0105
Schistosoma mansoni camp-dependent rap1 guanine-nucleotide exchange factor 0.0006 0.001 0.0063
Toxoplasma gondii ferredoxin NADP+ oxidoreductase FNR 0.0005 0.0007 0.0261
Entamoeba histolytica recQ family helicase, putative 0.0011 0.0057 0.5196
Entamoeba histolytica type A flavoprotein, putative 0.0018 0.011 1
Plasmodium falciparum ATP-dependent DNA helicase Q1 0.0009 0.0036 0.0854
Echinococcus multilocularis geminin 0.02 0.1603 0.4236
Trypanosoma cruzi p450 reductase, putative 0.0047 0.0346 1
Mycobacterium ulcerans enoyl-CoA hydratase, EchA3 0.001 0.0043 0.0037
Trypanosoma cruzi 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Brugia malayi flavodoxin family protein 0.0047 0.0346 0.1724
Echinococcus multilocularis cyclic nucleotide gated cation channel alpha 3 0.0009 0.0034 0.0072
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA20 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0034 0.0072
Treponema pallidum flavodoxin 0.0018 0.011 1
Echinococcus granulosus cAMP dependent protein kinase regulatory 0.0006 0.001 0.0009
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0006 0.001 0.0009
Leishmania major hypothetical protein, conserved 0.0006 0.001 0.0105
Mycobacterium tuberculosis Possible enoyl-CoA hydratase EchA4 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0044 0.032 0.0832
Trypanosoma cruzi hypothetical protein, conserved 0.0006 0.001 0.0105
Entamoeba histolytica type A flavoprotein, putative 0.0018 0.011 1
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0246 0.1977 1
Brugia malayi N-terminal motif family protein 0.0006 0.001 0.0018
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0018 0.011 0.3033
Loa Loa (eye worm) hypothetical protein 0.0047 0.0346 0.1724
Schistosoma mansoni DNA helicase recq5 0.0009 0.0036 0.0222
Chlamydia trachomatis sulfite reductase 0.0029 0.02 1
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0018
Chlamydia trachomatis cAMP-dependent protein kinase regulatory subunit 0.0006 0.001 0.0184
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA11 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA7 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Leishmania major enoyl-CoA hydratase/Enoyl-CoA isomerase/3- hydroxyacyl-CoA dehydrogenase, putative 0.001 0.0043 0.1077
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0047 0.0346 0.0902
Loa Loa (eye worm) ATP-dependent DNA helicase 0.0009 0.0036 0.0147
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0034 0.0072
Mycobacterium ulcerans enoyl-CoA hydratase, EchA8_5 0.001 0.0043 0.0037
Entamoeba histolytica type A flavoprotein, putative 0.0018 0.011 1
Leishmania major peroxisomal enoyl-coa hydratase, putative 0.001 0.0043 0.1077
Leishmania major protein kinase A regulatory subunit, putative 0.0006 0.001 0.0105
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0067 0.1765
Mycobacterium leprae PROBABLE ENOYL-CoA HYDRATASE ECHA8 (ENOYL HYDRASE) (UNSATURATED ACYL-CoA HYDRATASE) (CROTONASE) 0.001 0.0043 0.0033
Trypanosoma brucei cAMP binding protein, putative 0.0006 0.001 0.0105
Plasmodium vivax CAMP-dependent protein kinase regulatory subunit, putative 0.0006 0.001 0.0105
Mycobacterium tuberculosis Probable transcriptional regulatory protein Cmr 0.0006 0.001 0.0004
Leishmania major protein kinase, putative 0.0006 0.001 0.0105
Echinococcus multilocularis enoyl coenzyme A hydratase 0.001 0.0043 0.0097
Trichomonas vaginalis sulfite reductase, putative 0.0047 0.0346 0.1498
Toxoplasma gondii protein kinase G AGC kinase family member PKG 0.0006 0.001 0.0402
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA18 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA15 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Schistosoma mansoni blooms syndrome DNA helicase 0.0017 0.0102 0.0636
Schistosoma mansoni cytochrome B5 0.0005 0.0007 0.0041
Mycobacterium tuberculosis Probable conserved transmembrane protein 0.0006 0.001 0.0004
Mycobacterium leprae POSSIBLE ENOYL-CoA HYDRATASE ECHA6 (ENOYL HYDRASE) (UNSATURATED ACYL-CoA HYDRATASE) (CROTONASE) 0.001 0.0043 0.0033
Mycobacterium ulcerans regulatory protein 0.0006 0.001 0.0004
Trypanosoma brucei 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Leishmania major hypothetical protein, unknown function 0.0006 0.001 0.0105
Mycobacterium tuberculosis Possible enoyl-CoA hydratase 0.001 0.0043 0.0037
Trypanosoma cruzi enoyl-CoA hydratase/Enoyl-CoA isomerase/3-hydroxyacyl-CoA dehydrogenase, putative 0.001 0.0043 0.1077
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0006 0.001 0.0009
Echinococcus granulosus ATP dependent DNA helicase Q5 0.0009 0.0036 0.0077
Treponema pallidum catabolite gene activator 0.0006 0.001 0.0345
Loa Loa (eye worm) hypothetical protein 0.0009 0.0036 0.0147
Plasmodium vivax SET domain protein, putative 0.0035 0.0252 0.722
Echinococcus multilocularis lamin 0.0032 0.0224 0.0577
Schistosoma mansoni enoyl-CoA hydratase-related 0.001 0.0043 0.0269
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0035 0.0252 0.0651
Plasmodium vivax enoyl-CoA hydratase, putative 0.001 0.0043 0.1077
Schistosoma mansoni camp-dependent protein kinase regulatory chain 0.0006 0.001 0.0063
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Trypanosoma brucei enoyl-CoA hydratase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0047 0.0346 0.034
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0018 0.011 0.3033
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0015 0.0089 0.0219
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Echinococcus granulosus lamin 0.0032 0.0224 0.0577
Mycobacterium leprae Possible enoyl-CoA hydratase EchA21 (enoyl hydrase) (unsaturated acyl-coA hydratase) (crotonase) 0.001 0.0043 0.0033
Mycobacterium ulcerans enoyl-CoA hydratase, EchA12_2 0.001 0.0043 0.0037
Brugia malayi cAMP-dependent protein kinase regulatory chain, putative 0.0006 0.001 0.0018
Schistosoma mansoni hypothetical protein 0.001 0.0043 0.0269
Schistosoma mansoni DNA helicase recq1 0.0009 0.0036 0.0222
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0014 0.0081 0.3197
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Mycobacterium ulcerans hypothetical protein 0.0006 0.001 0.0004
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0034 0.0072
Trypanosoma cruzi Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative 0.0018 0.011 0.3033
Trypanosoma cruzi enoyl-CoA hydratase/isomerase family protein, putative 0.001 0.0043 0.1077
Brugia malayi enoyl-CoA hydratase/isomerase family protein 0.001 0.0043 0.0186
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0006 0.001 0.0009
Mycobacterium ulcerans enoyl-CoA hydratase, EchA8_6 0.001 0.0043 0.0037
Onchocerca volvulus 0.0035 0.0252 0.1091
Echinococcus multilocularis ATP dependent DNA helicase Q1 0.0009 0.0036 0.0077
Echinococcus granulosus geminin 0.02 0.1603 0.4236
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0018 0.011 0.0443
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Plasmodium falciparum ADP-dependent DNA helicase RecQ 0.0019 0.0118 0.3266
Loa Loa (eye worm) hypothetical protein 0.0017 0.0103 0.0491
Leishmania major protein kinase, putative 0.0006 0.001 0.0105
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0035 0.0252 0.0651
Echinococcus granulosus patatin phospholipase domain containing protein 0.0006 0.001 0.0009
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA8 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0034 0.0137
Toxoplasma gondii enoyl-CoA hydratase/isomerase family protein 0.001 0.0043 0.1713
Mycobacterium tuberculosis Probable fatty oxidation protein FadB 0.001 0.0043 0.0037
Brugia malayi intermediate filament protein 0.0032 0.0224 0.1103
Trypanosoma cruzi enoyl-CoA hydratase/isomerase family protein, putative 0.001 0.0043 0.1077
Onchocerca volvulus Trifunctional enzyme subunit alpha, mitochondrial homolog 0.001 0.0043 0.0163
Giardia lamblia Sgs1 DNA helicase, putative 0.0009 0.0036 0.098
Schistosoma mansoni NADPH flavin oxidoreductase 0.0024 0.0156 0.0974
Onchocerca volvulus 0.0032 0.0224 0.0967
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0006 0.001 0.0063
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0296 0.1275
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0034 0.0241 0.0623
Mycobacterium ulcerans enoyl-CoA hydratase EchA10 0.001 0.0043 0.0037
Schistosoma mansoni cytochrome P450 reductase 0.0047 0.0346 0.2161
Schistosoma mansoni hypothetical protein 0.02 0.1603 1
Schistosoma mansoni 60S ribosomal protein L21 0.0007 0.0019 0.012
Loa Loa (eye worm) enoyl-CoA hydratase/isomerase 0.001 0.0043 0.0186
Leishmania major cytochrome P450 reductase, putative 0.0041 0.0303 0.8717
Echinococcus granulosus cGMP dependent protein kinase 1 0.0006 0.001 0.0009
Echinococcus granulosus intermediate filament protein 0.0032 0.0224 0.0577
Echinococcus granulosus hyperpolarization activated cyclic 0.0009 0.0034 0.0072
Echinococcus granulosus cyclic nucleotide gated cation channel 0.0009 0.0034 0.0072
Loa Loa (eye worm) hypothetical protein 0.0009 0.0034 0.0137
Echinococcus granulosus cAMP dependent protein kinase type I beta 0.0006 0.001 0.0009
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0047 0.0346 0.0902
Mycobacterium ulcerans enoyl-CoA hydratase, EchA4_2 0.001 0.0043 0.0037
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA14 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Leishmania major 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Echinococcus granulosus neuropeptide receptor A26 0.0465 0.3775 1
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Trypanosoma cruzi 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Brugia malayi Cytochrome P450 family protein 0.0013 0.0067 0.0304
Loa Loa (eye worm) flavodoxin family protein 0.0018 0.011 0.0523
Schistosoma mansoni similar to Protein C20orf152 homolog 0.0006 0.001 0.0063
Trypanosoma brucei Flagellar Member 6 0.0006 0.001 0.0105
Schistosoma mansoni serine/threonine protein kinase 0.0006 0.001 0.0063
Toxoplasma gondii cAMP-dependent protein kinase regulatory subunit 0.0006 0.001 0.0402
Schistosoma mansoni serine/threonine protein kinase 0.0006 0.001 0.0063
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0009 0.0034 0.0072
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0041 0.0303 0.1303
Mycobacterium ulcerans hypothetical protein 0.0006 0.001 0.0004
Trypanosoma brucei S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0018 0.011 0.3033
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0034 0.021
Loa Loa (eye worm) cyclic-nucleotide gated cation channel 0.0009 0.0034 0.0137
Echinococcus granulosus enoyl coenzyme A hydratase 0.001 0.0043 0.0097
Trypanosoma brucei protein kinase A regulatory subunit 0.0006 0.001 0.0105
Toxoplasma gondii flavodoxin domain-containing protein 0.0023 0.0153 0.6083
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0034 0.021
Brugia malayi Probable enoyl-CoA hydratase, mitochondrial 0.001 0.0043 0.0186
Leishmania major enoyl-CoA hydratase/isomerase-like protein 0.001 0.0043 0.1077
Mycobacterium ulcerans cytochrome P450 185A4 Cyp185A4 0.0013 0.0067 0.006
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0041 0.0296 0.1275
Loa Loa (eye worm) FAD binding domain-containing protein 0.0029 0.02 0.098
Schistosoma mansoni intermediate filament proteins 0.0032 0.0224 0.1397
Echinococcus multilocularis methionine synthase reductase 0.0029 0.02 0.0512
Mycobacterium ulcerans transcriptional regulatory protein 0.0006 0.001 0.0004
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0009 0.0034 0.0105
Echinococcus multilocularis potassium voltage gated channel subfamily H 0.0013 0.0066 0.0159
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.001 0.0043 0.0037
Onchocerca volvulus 0.0032 0.0224 0.0967
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0047 0.0346 1
Trypanosoma cruzi enoyl-CoA hydratase/Enoyl-CoA isomerase/3-hydroxyacyl-CoA dehydrogenase, putative 0.001 0.0043 0.1077
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0018 0.011 0.0443
Plasmodium falciparum cAMP-dependent protein kinase regulatory subunit 0.0006 0.001 0.0105
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0252 0.1571
Leishmania major ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0057 0.1483
Schistosoma mansoni hyperpolarization activated cyclic nucleotide-gated potassium channel 0.0009 0.0034 0.021
Loa Loa (eye worm) hypothetical protein 0.0032 0.0224 0.1103
Schistosoma mansoni hypothetical protein 0.0006 0.001 0.0063
Mycobacterium leprae possible enoyl-CoA hydratase 0.001 0.0043 0.0033
Trypanosoma cruzi cyclic nucleotide-binding domain containing protein, putative 0.0006 0.001 0.0105
Brugia malayi enoyl-CoA hydratase/isomerase family protein 0.001 0.0043 0.0186
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0015 0.0089 0.0219
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0047 0.0346 1
Leishmania major hypothetical protein, conserved 0.0006 0.001 0.0105
Loa Loa (eye worm) FAD binding domain-containing protein 0.0047 0.0346 0.1724
Loa Loa (eye worm) hypothetical protein 0.001 0.0043 0.0186
Leishmania major cytochrome p450-like protein 0.0013 0.0067 0.1765
Onchocerca volvulus Rap guanine nucleotide exchange factor 1 homolog 0.0006 0.001 0.0016
Trichomonas vaginalis DNA helicase recq, putative 0.0011 0.0057 0.0209
Loa Loa (eye worm) hypothetical protein 0.0013 0.0066 0.0304
Leishmania major hypothetical protein, conserved 0.0018 0.011 0.3033
Schistosoma mansoni enoyl hydratase 0.001 0.0043 0.0269
Echinococcus multilocularis cyclic nucleotide gated cation channel 0.0006 0.001 0.0009
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0006 0.001 0.0063
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0006 0.001 0.0402
Brugia malayi Bloom's syndrome protein homolog 0.0021 0.0139 0.0672
Loa Loa (eye worm) intermediate filament protein 0.0032 0.0224 0.1103
Loa Loa (eye worm) hadha protein 0.001 0.0043 0.0186
Echinococcus granulosus cGMP dependent protein kinase 1 0.0006 0.001 0.0009
Mycobacterium leprae PROBABLE ENOYL-CoA HYDRATASE ECHA17 (CROTONASE) (UNSATURED ACYL-CoA HYDRATASE) (ENOYL HYDRASE) 0.001 0.0043 0.0033
Treponema pallidum cyclic nucleotide binding protein 0.0006 0.001 0.0345
Trypanosoma cruzi cAMP response protein 1 0.0006 0.001 0.0105
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0006 0.001 0.0402
Schistosoma mansoni camp-dependent protein kinase type II-alpha regulatory subunit 0.0006 0.001 0.0063
Brugia malayi cytoplasmic intermediate filament protein 0.0017 0.0103 0.0488
Trypanosoma brucei 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Echinococcus granulosus cGMP dependent protein kinase 0.0006 0.001 0.0009
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0047 0.0346 0.0902
Echinococcus multilocularis potassium:sodium hyperpolarization activated 0.0009 0.0034 0.0072
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0032 0.0224 0.1103
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0006 0.001 0.0105
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0067 0.0304
Brugia malayi Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog 0.0013 0.0066 0.0304
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0047 0.0346 1
Leishmania major regulatory subunit of protein kinase a-like protein 0.0006 0.001 0.0105
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0006 0.001 0.0105
Plasmodium vivax hypothetical protein, conserved 0.0018 0.011 0.3033
Toxoplasma gondii enoyl-CoA hydratase/isomerase family protein 0.001 0.0043 0.1713
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Schistosoma mansoni cyclic nucleotide-gated ion channel 0.0006 0.001 0.0063
Toxoplasma gondii enoyl-CoA hydratase/isomerase family protein 0.001 0.0043 0.1713
Brugia malayi FAD binding domain containing protein 0.0047 0.0346 0.1724
Trypanosoma cruzi 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Leishmania major enoyl-CoA hydratase/isomerase family protein, conserved 0.001 0.0043 0.1077
Loa Loa (eye worm) cytochrome P450 family protein 0.0013 0.0067 0.0304
Mycobacterium tuberculosis enoyl-CoA hydratase EchA2 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0034 0.021
Trypanosoma brucei ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0057 0.1483
Trypanosoma cruzi enoyl-CoA hydratase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Schistosoma mansoni hypothetical protein 0.02 0.1603 1
Echinococcus multilocularis lamin dm0 0.0032 0.0224 0.0577
Echinococcus granulosus bloom syndrome protein 0.0021 0.0139 0.0351
Trypanosoma cruzi regulatory subunit of protein kinase a-like protein, putative 0.0006 0.001 0.0105
Mycobacterium ulcerans transmembrane transport protein 0.0006 0.001 0.0004
Loa Loa (eye worm) hypothetical protein 0.0035 0.0252 0.1245
Brugia malayi Cytochrome P450 family protein 0.0013 0.0067 0.0304
Leishmania major 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Entamoeba histolytica type A flavoprotein, putative 0.0018 0.011 1
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0353 0.2201
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0047 0.0346 1
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0029 0.02 0.1246
Treponema pallidum cyclic nucleotide binding protein 0.0006 0.001 0.0345
Schistosoma mansoni NADH-cytochrome B5 reductase 0.0005 0.0007 0.0041
Schistosoma mansoni neuropathy target esterase/swiss cheese-related protein 0.0006 0.001 0.0063
Trypanosoma cruzi NADPH--cytochrome P450 reductase, putative 0.0018 0.011 0.3033
Schistosoma mansoni voltage-gated potassium channel 0.0048 0.0353 0.2201
Mycobacterium ulcerans enoyl-CoA hydratase, EchA8_2 0.001 0.0043 0.0037
Trypanosoma brucei enoyl-CoA hydratase/Enoyl-CoA isomerase/3-hydroxyacyl-CoA dehydrogenase, putative 0.001 0.0043 0.1077
Trypanosoma brucei methylglutaconyl-CoA hydratase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Schistosoma mansoni lamin 0.0032 0.0224 0.1397
Echinococcus granulosus cyclic nucleotide gated cation channel alpha 3 0.0009 0.0034 0.0072
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0036 0.1414
Loa Loa (eye worm) RecQ helicase 0.0021 0.0139 0.0672
Trypanosoma cruzi trifunctional enzyme alpha subunit, mitochondrial precursor-like protein 0.001 0.0043 0.1077
Trypanosoma cruzi peroxisomal enoyl-coa hydratase, putative 0.001 0.0043 0.1077
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0252 0.1571
Schistosoma mansoni voltage-gated potassium channel 0.0013 0.0066 0.0414
Brugia malayi Cyclic-nucleotide gated cation channel 0.0009 0.0034 0.0137
Plasmodium vivax ADP-dependent DNA helicase RecQ, putative 0.0015 0.0082 0.2218
Loa Loa (eye worm) AGC/PKG protein kinase 0.0006 0.001 0.0018
Mycobacterium tuberculosis Possible enoyl-CoA hydratase EchA6 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Toxoplasma gondii ATP-dependent DNA helicase, RecQ family protein 0.0009 0.0036 0.1414
Mycobacterium tuberculosis Possible enoyl-CoA hydratase EchA21 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Trypanosoma cruzi Flagellar Member 6 0.0006 0.001 0.0105
Mycobacterium tuberculosis Naphthoate synthase MenB (dihydroxynaphthoic acid synthetase) (DHNA synthetase) 0.1225 1 1
Echinococcus granulosus methionine synthase reductase 0.0029 0.02 0.0512
Loa Loa (eye worm) cAMP-dependent protein kinase regulatory subunit 0.0006 0.001 0.0018
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0035 0.0252 0.1571
Echinococcus multilocularis patatin phospholipase domain containing protein 0.0006 0.001 0.0009
Mycobacterium ulcerans enoyl-CoA hydratase, EchA8_4 0.001 0.0043 0.0037
Entamoeba histolytica type A flavoprotein, putative 0.0018 0.011 1
Trypanosoma brucei cyclic nucleotide-binding domain containing protein, putative 0.0006 0.001 0.0105
Onchocerca volvulus 0.001 0.0043 0.0163
Giardia lamblia Nitric oxide synthase, inducible 0.0041 0.0303 1
Trypanosoma cruzi enoyl-CoA hydratase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Toxoplasma gondii enoyl-coa hydratase/isomerase family protein 0.001 0.0043 0.1713
Trichomonas vaginalis voltage and ligand gated potassium channel, putative 0.0009 0.0034 0.0105
Mycobacterium tuberculosis Possible enoyl-CoA hydratase EchA13 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Mycobacterium ulcerans enoyl-CoA hydratase, EchA8_7 0.001 0.0043 0.0037
Leishmania major trifunctional enzyme alpha subunit, mitochondrial precursor-like protein 0.001 0.0043 0.1077
Trypanosoma brucei cAMP response protein 1, putative 0.0006 0.001 0.0105
Brugia malayi Cyclic-nucleotide gated cation channel, C. elegans tax-4 ortholog 0.0006 0.001 0.0018
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0047 0.0346 1
Trichomonas vaginalis NADPH cytochrome P450, putative 0.0018 0.011 0.0443
Brugia malayi flavodoxin family protein 0.0018 0.011 0.0523
Echinococcus multilocularis cAMP dependent protein kinase type II regulatory 0.0006 0.001 0.0009
Leishmania major hypothetical protein, conserved 0.0006 0.001 0.0105
Brugia malayi hydroxyacyl-Coenzyme A dehydrogenase/3-ketoacyl-Coenzyme A thiolase/enoyl-Coenzyme A hydratase, putative 0.001 0.0043 0.0186
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA5 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Mycobacterium ulcerans enoyl-CoA hydratase EchA16 0.001 0.0043 0.0037
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0047 0.0346 1
Trypanosoma brucei 3,2-trans-enoyl-CoA isomerase, mitochondrial precursor, putative 0.001 0.0043 0.1077
Trichomonas vaginalis DNA helicase recq, putative 0.0021 0.0139 0.0574
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0047 0.0346 0.0902
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Loa Loa (eye worm) hypothetical protein 0.0031 0.0219 0.1079
Trichomonas vaginalis DNA helicase recq1, putative 0.0021 0.0139 0.0574
Schistosoma mansoni diflavin oxidoreductase 0.0023 0.0153 0.0956
Mycobacterium tuberculosis Conserved protein 0.0006 0.001 0.0004
Schistosoma mansoni camp-dependent protein kinase type I-beta regulatory subunit 0.0006 0.001 0.0063
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0047 0.0346 1
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0017 0.0103 0.0488
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0035 0.0252 1
Brugia malayi Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog 0.0044 0.032 0.159
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0006 0.001 0.0402
Echinococcus multilocularis ATP dependent DNA helicase Q5 0.0009 0.0036 0.0077
Brugia malayi Egg laying defective protein 4 0.0006 0.001 0.0018
Loa Loa (eye worm) hypothetical protein 0.0006 0.001 0.0018
Mycobacterium ulcerans enoyl-CoA hydratase EchA11 0.001 0.0043 0.0037
Brugia malayi Pre-SET motif family protein 0.0246 0.1977 1
Mycobacterium leprae PROBABLE FATTY OXIDATION PROTEIN FADB 0.001 0.0043 0.0033
Brugia malayi Intermediate filament tail domain containing protein 0.0032 0.0224 0.1103
Loa Loa (eye worm) hypothetical protein 0.0015 0.0084 0.0394
Echinococcus multilocularis expressed conserved protein 0.0006 0.001 0.0009
Trypanosoma cruzi cytochrome P450, putative 0.0013 0.0067 0.1765
Echinococcus granulosus cAMP dependent protein kinase type II regulatory 0.0006 0.001 0.0009
Echinococcus multilocularis musashi 0.0032 0.0224 0.0577
Echinococcus multilocularis hyperpolarization activated cyclic 0.0009 0.0034 0.0072
Schistosoma mansoni camp-dependent protein kinase type II regulatory subunit 0.0006 0.001 0.0063
Onchocerca volvulus 0.0006 0.001 0.0016
Toxoplasma gondii cyclic nucleotide-binding domain-containing protein 0.0006 0.001 0.0402
Leishmania major p450 reductase, putative 0.0047 0.0346 1
Mycobacterium ulcerans enoyl-CoA hydratase 0.001 0.0043 0.0037
Echinococcus multilocularis neuropeptide receptor A26 0.0465 0.3775 1
Echinococcus granulosus potassium:sodium hyperpolarization activated 0.0009 0.0034 0.0072
Trypanosoma cruzi protein kinase A regulatory subunit 0.0006 0.001 0.0105
Schistosoma mansoni cyclic-nucleotide-gated cation channel 0.0009 0.0034 0.021
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA1 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0047 0.0346 1
Mycobacterium tuberculosis Probable enoyl-CoA hydratase EchA16 (enoyl hydrase) (unsaturated acyl-CoA hydratase) (crotonase) 0.001 0.0043 0.0037
Echinococcus granulosus histone lysine methyltransferase setb 0.0035 0.0252 0.0651
Loa Loa (eye worm) hypothetical protein 0.001 0.0043 0.0186
Toxoplasma gondii NADH-cytochrome b5 reductase 1, putative 0.0005 0.0007 0.0261
Treponema pallidum catabolite gene activator (Crp) 0.0006 0.001 0.0345
Mycobacterium ulcerans fatty oxidation protein FadB 0.001 0.0043 0.0037
Echinococcus multilocularis cAMP dependent protein kinase type I beta 0.0006 0.001 0.0009
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0018 0.011 0.3033
Loa Loa (eye worm) voltage and ligand gated potassium channel 0.0044 0.032 0.159
Echinococcus granulosus enoyl coenzyme A hydratase 0.001 0.0043 0.0097
Echinococcus multilocularis enoyl coenzyme A hydratase 0.001 0.0043 0.0097
Echinococcus granulosus voltage gated potassium channel 0.0013 0.0066 0.0159
Loa Loa (eye worm) hypothetical protein 0.0015 0.0089 0.0418
Giardia lamblia Hypothetical protein 0.0041 0.0303 1
Loa Loa (eye worm) CYP4Cod1 0.0013 0.0067 0.0304
Brugia malayi Pre-SET motif family protein 0.0035 0.0252 0.1245
Plasmodium vivax flavodoxin domain containing protein 0.0041 0.0303 0.8717
Echinococcus multilocularis cGMP dependent protein kinase 1 0.0006 0.001 0.0009
Echinococcus multilocularis voltage gated potassium channel 0.0013 0.0066 0.0159
Plasmodium falciparum enoyl-CoA hydratase, putative 0.001 0.0043 0.1077
Echinococcus multilocularis bloom syndrome protein 0.0021 0.0139 0.0351
Plasmodium falciparum cGMP-dependent protein kinase 0.0006 0.001 0.0105
Mycobacterium ulcerans hypothetical protein 0.0006 0.001 0.0004
Trypanosoma cruzi ATP-dependent DEAD/H DNA helicase recQ, putative 0.0011 0.0057 0.1483

Activities

Activity type Activity value Assay description Source Reference
IC50 (ADMET) = 3.8 Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats. ChEMBL. 7120277
logP (ADMET) = 2.61 Partition coefficient (logP) ChEMBL. 7120277
pI50 (ADMET) = 3.8 Inhibitory potency to aminopyrine N-demethylase activity (P450) in hepatic microsomes from phenobarbitone-induced rats. ChEMBL. 7120277

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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