Detailed information for compound 91542

Basic information

Technical information
  • TDR Targets ID: 91542
  • Name: 6-ethyl-4-methylpyridin-2-amine
  • MW: 136.194 | Formula: C8H12N2
  • H donors: 1 H acceptors: 1 LogP: 1.7 Rotable bonds: 1
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCc1cc(C)cc(n1)N
  • InChi: 1S/C8H12N2/c1-3-7-4-6(2)5-8(9)10-7/h4-5H,3H2,1-2H3,(H2,9,10)
  • InChiKey: HOYBUTQLFZKDDU-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 6-ethyl-4-methyl-pyridin-2-amine
  • 6-ethyl-4-methyl-2-pyridinamine
  • (6-ethyl-4-methyl-2-pyridyl)amine

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
Homo sapiens nitric oxide synthase 3 (endothelial cell) Starlite/ChEMBL References
Homo sapiens nitric oxide synthase 2, inducible Starlite/ChEMBL References

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
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0157 0.0286
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0202 0.3832
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0157 0.0234
Mycobacterium tuberculosis Conserved protein 0.0036 0.007 0.0149
Echinococcus granulosus jumonji domain containing protein 0.0042 0.0117 0.011
Loa Loa (eye worm) hypothetical protein 0.0052 0.0189 0.0345
Schistosoma mansoni hypothetical protein 0.089 0.6307 0.6296
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0061 0.0255 0.0248
Echinococcus multilocularis COUP TF:Svp nuclear hormone receptor 0.0031 0.0036 0.0029
Toxoplasma gondii LsmAD domain-containing protein 0.0054 0.0202 0.1478
Brugia malayi Nuclear hormone receptor-like 1 0.0031 0.0036 0.0013
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0157 0.0126
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0091 0.0478 0.0471
Onchocerca volvulus 0.0088 0.0451 0.1268
Loa Loa (eye worm) nuclear hormone receptor family member nhr-31 0.0031 0.0036 0.0066
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0128
Brugia malayi Nuclear hormone receptor family member nhr-41 0.0031 0.0036 0.0013
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0091 0.0478 1
Schistosoma mansoni alpha glucosidase 0.0037 0.0079 0.0048
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0079 0.0041
Schistosoma mansoni jumonji domain containing protein 0.0079 0.0384 0.0354
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0255 0.0225
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.1189 1
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0189 0.1189 0.8043
Brugia malayi Latrophilin receptor protein 2 0.0065 0.0287 0.0474
Echinococcus multilocularis histone lysine N methyltransferase SETMAR 0.0061 0.0255 0.0248
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0189 0.1189 1
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.007 0.0149
Loa Loa (eye worm) steroid hormone receptor 0.0031 0.0036 0.0066
Trypanosoma cruzi p450 reductase, putative 0.0091 0.0478 1
Onchocerca volvulus 0.0096 0.0511 0.1449
Mycobacterium leprae conserved hypothetical protein 0.0036 0.007 0.0477
Trichomonas vaginalis sulfite reductase, putative 0.0091 0.0478 0.1258
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0255 0.0225
Brugia malayi beta-lactamase 0.0036 0.007 0.0075
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.007 0.0012
Brugia malayi photoreceptor-specific nuclear receptor 0.0031 0.0036 0.0013
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0065 0.0287 0.028
Echinococcus granulosus L aminoadipate semialdehyde 0.0088 0.0451 0.0444
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0084 0.0424 0.2647
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.007 0.0149
Brugia malayi hypothetical protein 0.0054 0.0202 0.0318
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0056 0.0219 0.0399
Echinococcus multilocularis muscleblind protein 0.0776 0.5476 0.5473
Schistosoma mansoni aldehyde dehydrogenase 0.0189 0.1189 0.1162
Schistosoma mansoni cytochrome P450 reductase 0.0091 0.0478 0.0448
Toxoplasma gondii exonuclease III APE 0.004 0.0101 0.0607
Loa Loa (eye worm) hypothetical protein 0.0055 0.0211 0.0385
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0079 0.0041
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0227 0.1467 1
Echinococcus multilocularis musashi 0.0056 0.0219 0.0211
Leishmania major apurinic/apyrimidinic endonuclease-redox protein 0.004 0.0101 0.0317
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0116 0.0654 0.1147
Entamoeba histolytica exodeoxyribonuclease III, putative 0.004 0.0101 1
Brugia malayi intermediate filament protein 0.0056 0.0219 0.0348
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0079 0.0041
Echinococcus granulosus geminin 0.089 0.6307 0.6305
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0091 0.0478 1
Loa Loa (eye worm) flavodoxin family protein 0.0035 0.0066 0.012
Echinococcus multilocularis jumonji domain containing protein 0.0042 0.0117 0.011
Plasmodium falciparum NADPH--cytochrome P450 reductase, putative 0.0035 0.0066 0.0777
Trichomonas vaginalis set domain proteins, putative 0.0484 0.334 1
Echinococcus granulosus neutral alpha glucosidase AB 0.0037 0.0079 0.0072
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.007 0.0012
Onchocerca volvulus 0.0056 0.0219 0.0566
Brugia malayi Pre-SET motif family protein 0.0061 0.0255 0.0415
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.007 0.0012
Toxoplasma gondii flavodoxin domain-containing protein 0.0045 0.0142 0.0954
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.007 0.0149
Leishmania major cytochrome P450 reductase, putative 0.0081 0.0402 0.2992
Plasmodium falciparum thioredoxin reductase 0.0037 0.008 0.1085
Onchocerca volvulus Bile acid receptor homolog 0.0031 0.0036 0.0016
Brugia malayi hypothetical protein 0.0479 0.3302 0.6009
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0036 0.0013
Echinococcus multilocularis microtubule associated protein 2 0.1396 1 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0037 0.0083 0.0076
Schistosoma mansoni ap endonuclease 0.004 0.0101 0.007
Schistosoma mansoni hypothetical protein 0.0065 0.0287 0.0257
Leishmania major alpha glucosidase II subunit, putative 0.0037 0.0079 0.0119
Onchocerca volvulus Protein ultraspiracle homolog 0.0031 0.0036 0.0016
Plasmodium falciparum AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0101 0.1573
Echinococcus granulosus FTZ F1 alpha 0.043 0.2945 0.294
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.007 0.0062
Loa Loa (eye worm) hypothetical protein 0.0027 0.0007 0.0014
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0189 0.1189 0.1183
Schistosoma mansoni histone-lysine n-methyltransferase suv9 0.0061 0.0255 0.0225
Plasmodium vivax flavodoxin domain containing protein 0.0081 0.0402 0.8302
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0065 0.0287 0.028
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0036 0.0029
Onchocerca volvulus 0.0036 0.007 0.0117
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0079 0.0041
Trypanosoma brucei glucosidase, putative 0.0037 0.0079 0.0324
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.007 0.0149
Loa Loa (eye worm) hypothetical protein 0.0054 0.0202 0.0369
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0077 0.0261
Schistosoma mansoni hypothetical protein 0.0065 0.0287 0.0257
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0091 0.0478 1
Brugia malayi PHD-finger family protein 0.003 0.0031 0.0004
Brugia malayi steroid hormone receptor 0.0031 0.0036 0.0013
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0093 0.0493 0.313
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.007 0.0149
Toxoplasma gondii histone lysine methyltransferase SET/SUV39 0.0061 0.0255 0.1936
Brugia malayi Calcitonin receptor-like protein seb-1 0.0207 0.1317 0.2365
Schistosoma mansoni diflavin oxidoreductase 0.0045 0.0142 0.0111
Loa Loa (eye worm) inositol-1 0.0036 0.0077 0.014
Brugia malayi Bromodomain containing protein 0.003 0.0031 0.0004
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0157 0.0149
Brugia malayi beta-lactamase family protein 0.0036 0.007 0.0075
Loa Loa (eye worm) thioredoxin reductase 0.0037 0.008 0.0145
Schistosoma mansoni inositol monophosphatase 0.0036 0.0077 0.0046
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0157 0.0126
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0189 0.1189 0.1183
Echinococcus granulosus GPCR family 2 0.0065 0.0287 0.028
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.0056 0.0223 0.0192
Echinococcus granulosus lysine specific demethylase 5A 0.0037 0.0078 0.007
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0036 0.0029
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0091 0.0478 1
Echinococcus granulosus muscleblind protein 0.0776 0.5476 0.5473
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0091 0.0478 1
Schistosoma mansoni NADPH flavin oxidoreductase 0.0046 0.0147 0.0116
Echinococcus multilocularis lysine specific demethylase 5A 0.0037 0.0078 0.007
Loa Loa (eye worm) PHD-finger family protein 0.003 0.0031 0.0057
Brugia malayi Iron-sulfur cluster assembly accessory protein 0.0098 0.0523 0.0906
Echinococcus granulosus ecdysone induced protein 78C 0.0031 0.0036 0.0029
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.0077 0.0069
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0207 0.1317 0.2365
Leishmania major hypothetical protein, conserved 0.0054 0.0202 0.1214
Loa Loa (eye worm) hypothetical protein 0.0031 0.0036 0.0066
Loa Loa (eye worm) exodeoxyribonuclease III family protein 0.004 0.0101 0.0185
Schistosoma mansoni hypothetical protein 0.0141 0.0841 0.0812
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0065 0.0287 0.0474
Leishmania major hypothetical protein, conserved 0.0036 0.007 0.0036
Loa Loa (eye worm) nuclear hormone receptor family member nhr-14 0.0031 0.0036 0.0066
Schistosoma mansoni nuclear receptor 2DBD-gamma 0.0031 0.0036 0.0005
Echinococcus multilocularis FTZ F1 nuclear receptor protein 0.0116 0.0654 0.0647
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0037 0.0079 0.0041
Echinococcus granulosus 5'partial|histone lysine N methyltransferase SETDB2 0.0059 0.0239 0.0232
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0084 0.0424 0.2647
Onchocerca volvulus 0.0484 0.334 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0157 0.0149
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0079 0.0324
Loa Loa (eye worm) hypothetical protein 0.0031 0.0036 0.0066
Loa Loa (eye worm) FAD binding domain-containing protein 0.0056 0.0223 0.0406
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0036 0.0013
Toxoplasma gondii ABC1 family protein 0.0036 0.007 0.0335
Loa Loa (eye worm) hypothetical protein 0.0088 0.0451 0.0823
Trypanosoma cruzi apurinic/apyrimidinic endonuclease 0.004 0.0101 0.0863
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0202 0.3312
Echinococcus granulosus PHD finger protein rhinoceros 0.003 0.0031 0.0024
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.003 0.0029 0.0053
Echinococcus multilocularis atpase aaa+ type core atpase aaa type core 0.08 0.565 0.5647
Loa Loa (eye worm) pre-SET domain-containing protein family protein 0.0425 0.2912 0.5317
Brugia malayi jmjC domain containing protein 0.0099 0.0533 0.0925
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.007 0.0098
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0077 0.0033
Trypanosoma cruzi PAB1-binding protein , putative 0.0054 0.0202 0.3312
Chlamydia trachomatis sulfite reductase 0.0056 0.0223 0.5
Brugia malayi Nuclear hormone receptor family member nhr-25 0.0116 0.0654 0.1147
Trypanosoma cruzi apurinic/apyrimidinic endonuclease, putative 0.004 0.0101 0.0863
Brugia malayi ecdysteroid receptor 0.0031 0.0036 0.0013
Trichomonas vaginalis sucrase-isomaltase, putative 0.0037 0.0079 0.0041
Schistosoma mansoni aldehyde dehydrogenase 0.0189 0.1189 0.1162
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0088 0.0451 0.0774
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.0077 0.0069
Brugia malayi Nuclear hormone receptor family member nhr-1 0.0031 0.0036 0.0013
Echinococcus granulosus lamin dm0 0.0056 0.0219 0.0211
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.1021 0.1014
Brugia malayi glutathione reductase 0.0037 0.008 0.0093
Trypanosoma cruzi hypothetical protein, conserved 0.0037 0.0079 0.0324
Wolbachia endosymbiont of Brugia malayi exonuclease III 0.004 0.0101 1
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0091 0.0478 0.0471
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0084 0.0424 0.8458
Echinococcus multilocularis nuclear receptor 2DBD gamma 0.0031 0.0036 0.0029
Echinococcus multilocularis methionine synthase reductase 0.0056 0.0223 0.0215
Mycobacterium ulcerans formate dehydrogenase H FdhF 0.0091 0.0478 0.3644
Schistosoma mansoni nuclear hormone receptor 0.0031 0.0036 0.0005
Echinococcus granulosus intermediate filament protein 0.0056 0.0219 0.0211
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0157 0.0126
Brugia malayi Cytochrome P450 family protein 0.0052 0.0187 0.029
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0093 0.0493 1
Echinococcus multilocularis ecdysone induced protein 78C 0.0031 0.0036 0.0029
Brugia malayi beta-lactamase family protein 0.0036 0.007 0.0075
Plasmodium falciparum ataxin-2 like protein, putative 0.0054 0.0202 0.3832
Loa Loa (eye worm) nuclear hormone receptor family member nhr-40 0.0031 0.0036 0.0066
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.0077 0.3025
Schistosoma mansoni FTZ-F1 nuclear receptor-like protein 0.0116 0.0654 0.0625
Brugia malayi nuclear hormone receptor 0.0031 0.0036 0.0013
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.007 0.0149
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.1189 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0031 0.0057
Loa Loa (eye worm) jmjC domain-containing protein 0.0062 0.0266 0.0486
Onchocerca volvulus 0.0031 0.0036 0.0016
Brugia malayi Nuclear hormone receptor family member nhr-19 0.0031 0.0036 0.0013
Brugia malayi Inositol-1 0.0036 0.0077 0.0087
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0093 0.0493 0.313
Brugia malayi Nuclear hormone receptor family member nhr-14 0.0031 0.0036 0.0013
Schistosoma mansoni alpha-glucosidase 0.0143 0.0852 0.0824
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.0077 0.006
Schistosoma mansoni hypothetical protein 0.0085 0.0428 0.0399
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0091 0.0478 1
Onchocerca volvulus 0.0036 0.007 0.0117
Loa Loa (eye worm) hypothetical protein 0.0031 0.0036 0.0066
Loa Loa (eye worm) FAD binding domain-containing protein 0.0091 0.0478 0.0873
Mycobacterium tuberculosis Conserved protein 0.0036 0.007 0.0149
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0078 0.0047
Echinococcus multilocularis geminin 0.089 0.6307 0.6305
Loa Loa (eye worm) jmjC domain-containing protein 0.0037 0.0078 0.0142
Plasmodium vivax hypothetical protein, conserved 0.0036 0.007 0.0868
Plasmodium vivax ataxin-2 like protein, putative 0.0054 0.0202 0.3832
Loa Loa (eye worm) hypothetical protein 0.0479 0.3302 0.603
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0077 0.0261
Echinococcus granulosus lysosomal alpha glucosidase 0.0166 0.1021 0.1014
Loa Loa (eye worm) hypothetical protein 0.0091 0.0478 0.0873
Loa Loa (eye worm) beta-lactamase 0.0036 0.007 0.0128
Trypanosoma brucei trypanothione reductase 0.0037 0.008 0.0334
Brugia malayi FAD binding domain containing protein 0.0056 0.0223 0.0355
Schistosoma mansoni Tr4/Tr2 (homologue) 0.0031 0.0036 0.0005
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0099 0.0533 0.0526
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0081 0.0402 0.1027
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0079 0.3753
Echinococcus multilocularis peregrin 0.003 0.0031 0.0024
Schistosoma mansoni nuclear hormone receptor nor-1/nor-2 0.0031 0.0036 0.0005
Mycobacterium tuberculosis Conserved protein 0.0036 0.007 0.0149
Echinococcus granulosus DNA apurinic or apyrimidinic site lyase 0.004 0.0101 0.0094
Loa Loa (eye worm) hypothetical protein 0.0776 0.5476 1
Mycobacterium tuberculosis Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI) 0.004 0.0101 0.0371
Echinococcus granulosus methionine synthase reductase 0.0056 0.0223 0.0215
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0166 0.1021 0.1864
Echinococcus granulosus survival motor neuron protein 1 0.0479 0.3302 0.3297
Schistosoma mansoni hypothetical protein 0.089 0.6307 0.6296
Schistosoma mansoni lamin 0.0056 0.0219 0.0188
Echinococcus granulosus histone lysine methyltransferase setb 0.0061 0.0255 0.0248
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0128
Onchocerca volvulus 0.0098 0.0523 0.1486
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.007 0.0075
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0128
Trypanosoma brucei PAB1-binding protein , putative 0.0054 0.0202 0.3312
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.007 0.0039
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0036 0.0005
Mycobacterium ulcerans aldehyde dehydrogenase 0.0189 0.1189 1
Treponema pallidum exodeoxyribonuclease (exoA) 0.004 0.0101 1
Plasmodium vivax AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative 0.004 0.0101 0.1573
Schistosoma mansoni photoreceptor-specific nuclear receptor related 0.0031 0.0036 0.0005
Echinococcus granulosus hepatocyte nuclear factor 4 alpha 0.0031 0.0036 0.0029
Echinococcus multilocularis Nuclear hormone receptor family member nhr 41 0.0031 0.0036 0.0029
Giardia lamblia Hypothetical protein 0.0081 0.0402 1
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0037 0.008 0.0218
Loa Loa (eye worm) hypothetical protein 0.0207 0.1317 0.2406
Giardia lamblia Endonuclease/Exonuclease/phosphatase 0.004 0.0101 0.1895
Echinococcus multilocularis FTZ F1 alpha 0.0116 0.0654 0.0647
Echinococcus multilocularis thioredoxin glutathione reductase 0.0037 0.0083 0.0076
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0091 0.0478 0.0471
Schistosoma mansoni coup transcription factor 0.0031 0.0036 0.0005
Brugia malayi Glycosyl hydrolases family 31 protein 0.0037 0.0079 0.0092
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.007 0.0098
Loa Loa (eye worm) hypothetical protein 0.0031 0.0036 0.0066
Echinococcus multilocularis lamin 0.0056 0.0219 0.0211
Schistosoma mansoni hypothetical protein 0.0065 0.0287 0.0257
Echinococcus multilocularis PHD finger protein rhinoceros 0.003 0.0031 0.0024
Echinococcus granulosus COUP TF:Svp nuclear hormone receptor 0.0031 0.0036 0.0029
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0065 0.0287 0.028
Brugia malayi Thioredoxin reductase 0.0037 0.008 0.0093
Loa Loa (eye worm) hypothetical protein 0.0116 0.0654 0.1194
Toxoplasma gondii aldehyde dehydrogenase 0.0189 0.1189 1
Loa Loa (eye worm) nuclear hormone receptor family member nhr-41 0.0031 0.0036 0.0066
Schistosoma mansoni RAR-like nuclear receptor 0.0031 0.0036 0.0005
Toxoplasma gondii thioredoxin reductase 0.0037 0.008 0.0418
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0077 0.0261
Loa Loa (eye worm) hypothetical protein 0.0065 0.0287 0.0525
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0157 0.0149
Brugia malayi Glycosyl hydrolases family 31 protein 0.0166 0.1021 0.1821
Echinococcus granulosus lamin 0.0056 0.0219 0.0211
Brugia malayi hypothetical protein 0.0035 0.0063 0.0063
Trichomonas vaginalis maltase-glucoamylase, putative 0.0037 0.0079 0.0041
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.007 0.0098
Plasmodium vivax hypothetical protein, conserved 0.0035 0.0066 0.0777
Brugia malayi Intermediate filament tail domain containing protein 0.0056 0.0219 0.0348
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0065 0.0287 0.028
Trypanosoma brucei apurinic/apyrimidinic endonuclease, putative 0.004 0.0101 0.0863
Brugia malayi nuclear receptor NHR-88 0.0031 0.0036 0.0013
Plasmodium vivax glutathione reductase, putative 0.0037 0.008 0.1085
Schistosoma mansoni thyroid hormone receptor 0.0031 0.0036 0.0005
Brugia malayi flavodoxin family protein 0.0035 0.0066 0.0067
Schistosoma mansoni hypothetical protein 0.0098 0.0523 0.0493
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0101 0.0109
Schistosoma mansoni jumonji/arid domain-containing protein 0.0037 0.0078 0.0047
Echinococcus multilocularis hepatocyte nuclear factor 4 alpha 0.0031 0.0036 0.0029
Loa Loa (eye worm) hypothetical protein 0.0061 0.0255 0.0466
Onchocerca volvulus 0.0061 0.0255 0.0678
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.007 0.0012
Plasmodium vivax thioredoxin reductase, putative 0.0037 0.008 0.1085
Mycobacterium tuberculosis Probable dehydrogenase 0.0084 0.0424 0.2647
Leishmania major p450 reductase, putative 0.0091 0.0478 0.3667
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0091 0.0478 1
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.007 0.0039
Loa Loa (eye worm) hypothetical protein 0.0031 0.0036 0.0066
Echinococcus granulosus nuclear receptor 2DBD gamma 0.0031 0.0036 0.0029
Echinococcus granulosus retinoic acid receptor rxr beta a 0.0031 0.0036 0.0029
Trichomonas vaginalis esterase, putative 0.0036 0.007 0.0012
Plasmodium vivax SET domain protein, putative 0.0061 0.0255 0.5021
Brugia malayi Muscleblind-like protein 0.0776 0.5476 1
Brugia malayi exodeoxyribonuclease III family protein 0.004 0.0101 0.0133
Giardia lamblia Nitric oxide synthase, inducible 0.0081 0.0402 1
Echinococcus multilocularis GPCR, family 2 0.0065 0.0287 0.028
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.0077 0.0033
Brugia malayi Pre-SET motif family protein 0.0425 0.2912 0.5292
Schistosoma mansoni inositol monophosphatase 0.0036 0.0077 0.0046
Onchocerca volvulus 0.0036 0.007 0.0117
Brugia malayi Ligand-binding domain of nuclear hormone receptor family protein 0.0031 0.0036 0.0013
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0091 0.0478 0.0471
Echinococcus multilocularis lysosomal alpha glucosidase 0.0166 0.1021 0.1014
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0207 0.1317 0.2406
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0037 0.0079 0.0415
Echinococcus granulosus Nuclear hormone receptor family member nhr 41 0.0031 0.0036 0.0029
Brugia malayi Steroid receptor seven-up type 2 0.0031 0.0036 0.0013
Loa Loa (eye worm) hypothetical protein 0.0031 0.0036 0.0066
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.007 0.0062
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0079 0.0041
Echinococcus multilocularis neutral alpha glucosidase AB 0.0037 0.0079 0.0072
Echinococcus multilocularis thyroid hormone receptor alpha 0.0031 0.0036 0.0029
Mycobacterium leprae Probable lipase LipE 0.0036 0.007 0.0477
Loa Loa (eye worm) hypothetical protein 0.0056 0.0219 0.0399
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.0077 0.0096
Onchocerca volvulus 0.0056 0.0219 0.0566
Schistosoma mansoni ap endonuclease 0.004 0.0101 0.007
Toxoplasma gondii flavodoxin domain-containing protein 0.0045 0.0142 0.0954
Mycobacterium tuberculosis Probable oxidoreductase 0.0093 0.0493 0.313
Loa Loa (eye worm) nuclear hormone receptor family member nhr-1 0.0031 0.0036 0.0066
Brugia malayi latrophilin 2 splice variant baaae 0.0141 0.0841 0.149
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0091 0.0478 1
Loa Loa (eye worm) nuclear Hormone Receptor family member 0.0031 0.0036 0.0066
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0128
Loa Loa (eye worm) hypothetical protein 0.0031 0.0036 0.0066
Echinococcus multilocularis survival motor neuron protein 1 0.0479 0.3302 0.3297
Trypanosoma cruzi trypanothione reductase, putative 0.0037 0.008 0.0334
Brugia malayi Nuclear hormone receptor family member nhr-31 0.0031 0.0036 0.0013
Brugia malayi Nuclear hormone receptor family member nhr-40 0.0031 0.0036 0.0013
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0088 0.0451 0.0421
Trichomonas vaginalis ap endonuclease, putative 0.004 0.0101 0.0109
Trichomonas vaginalis alpha-glucosidase, putative 0.0037 0.0079 0.0041
Schistosoma mansoni survival motor neuron protein 0.0098 0.0523 0.0493
Schistosoma mansoni microtubule-associated protein tau 0.1396 1 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.007 0.0012
Plasmodium falciparum nitric oxide synthase, putative 0.0091 0.0478 1
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0061 0.0255 0.0225
Loa Loa (eye worm) cytochrome P450 family protein 0.0052 0.0187 0.0342
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0099 0.0533 0.0526
Echinococcus granulosus FTZ F1 nuclear receptor protein 0.0116 0.0654 0.0647
Loa Loa (eye worm) glutathione reductase 0.0037 0.008 0.0145
Mycobacterium tuberculosis Probable reductase 0.0084 0.0424 0.2647
Brugia malayi Nuclear hormone receptor family member nhr-3 0.0031 0.0036 0.0013
Schistosoma mansoni lamin 0.0056 0.0219 0.0188
Schistosoma mansoni steroid hormone receptor ad4bp 0.0031 0.0036 0.0005
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0084 0.0424 0.2647
Entamoeba histolytica glycosyl hydrolase, family 31 protein 0.0037 0.0079 0.3753
Loa Loa (eye worm) latrophilin receptor protein 2 0.0065 0.0287 0.0525
Schistosoma mansoni retinoic acid receptor RXR 0.0031 0.0036 0.0005
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0091 0.0478 0.3667
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0128
Plasmodium falciparum glutathione reductase 0.0037 0.008 0.1085
Schistosoma mansoni hypothetical protein 0.0065 0.0287 0.0257
Plasmodium falciparum S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative 0.0035 0.0066 0.0777
Mycobacterium ulcerans exodeoxyribonuclease III protein XthA 0.004 0.0101 0.0282
Onchocerca volvulus Steroid hormone receptor family member cnr14 homolog 0.0031 0.0036 0.0016
Schistosoma mansoni intermediate filament proteins 0.0056 0.0219 0.0188
Loa Loa (eye worm) intermediate filament protein 0.0056 0.0219 0.0399
Loa Loa (eye worm) nuclear hormone receptor family member nhr-49 0.0031 0.0036 0.0066
Loa Loa (eye worm) hypothetical protein 0.0776 0.5476 1
Echinococcus multilocularis L aminoadipate semialdehyde 0.0088 0.0451 0.0444
Echinococcus multilocularis DNA (apurinic or apyrimidinic site) lyase 0.004 0.0101 0.0094
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.007 0.0149
Echinococcus multilocularis lamin dm0 0.0056 0.0219 0.0211
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.0077 0.0033
Loa Loa (eye worm) hypothetical protein 0.0036 0.007 0.0128
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0157 0.0149
Echinococcus granulosus peregrin 0.003 0.0031 0.0024
Leishmania major trypanothione reductase 0.0037 0.008 0.0122
Brugia malayi jmjC domain containing protein 0.0037 0.0078 0.0089
Brugia malayi Nuclear hormone receptor family member nhr-49 0.0031 0.0036 0.0013
Schistosoma mansoni retinoid-x-receptor (RXR) 0.0031 0.0036 0.0005
Schistosoma mansoni alpha-glucosidase 0.0143 0.0852 0.0824
Brugia malayi flavodoxin family protein 0.0091 0.0478 0.0824
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0037 0.0079 0.0145
Brugia malayi FAD binding domain containing protein 0.0091 0.0478 0.0824
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0084 0.0424 0.2647
Loa Loa (eye worm) hypothetical protein 0.0141 0.0841 0.1535
Echinococcus multilocularis muscleblind protein 1 0.0776 0.5476 0.5473
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.0077 0.0392
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.007 0.0128

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 0.049 uM Inhibitory activity against endothelial nitric oxide synthase (eNOS) ChEMBL. 10987430
IC50 (binding) = 0.049 uM Inhibitory activity against endothelial nitric oxide synthase (eNOS) ChEMBL. 10987430
IC50 (binding) = 0.33 uM Inhibitory activity against inducible nitric oxide synthase (iNOS) ChEMBL. 10987430
IC50 (binding) = 0.33 uM Inhibitory activity against inducible nitric oxide synthase (iNOS) ChEMBL. 10987430
Inhibition (binding) = 42 % Inhibitory activity against Neuronal nitric oxide synthase ChEMBL. 10987430
Inhibition (binding) = 42 % Inhibitory activity against Neuronal nitric oxide synthase ChEMBL. 10987430
Selectivity (binding) = 0.15 Selectivity for inhibition of inducible nitric oxide synthases to that of inhibition of endothelial cell nitric oxide synthases ChEMBL. 10987430
Selectivity (binding) = 0.3 Selectivity for inhibition of neuronal nitric oxide synthases to that of inhibition of inducible nitric oxide synthases ChEMBL. 10987430

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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