Detailed information for compound 283811

Basic information

Technical information
  • TDR Targets ID: 283811
  • Name: N'-[(5S,6R)-5-amino-6,7-dihydroxyheptyl]ethan imidamide
  • MW: 203.282 | Formula: C9H21N3O2
  • H donors: 4 H acceptors: 2 LogP: -1.48 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@@H]([C@H](CCCCNC(=N)C)N)O
  • InChi: 1S/C9H21N3O2/c1-7(10)12-5-3-2-4-8(11)9(14)6-13/h8-9,13-14H,2-6,11H2,1H3,(H2,10,12)/t8-,9-/m0/s1
  • InChiKey: SWFGZPKOOOLHNM-IUCAKERBSA-N  


Substructure search Similarity search

Network

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Synonyms

  • N'-[(5S,6R)-5-amino-6,7-dihydroxy-heptyl]acetamidine
  • N'-[(5S,6R)-5-amino-6,7-dihydroxyheptyl]acetamidine
  • N'-[(5S,6R)-5-azanyl-6,7-dihydroxy-heptyl]ethanimidamide
  • N'-[(5S,6R)-5-amino-6,7-dihydroxy-heptyl]ethanimidamide

Targets

Known targets for this compound

Species Target name Source Bibliographic reference
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
Trichomonas vaginalis dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0602 0.0962 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0008 0.209
Loa Loa (eye worm) fibroinase 0.0033 0.0034 0.0352
Chlamydia trachomatis UDP-N-acetylmuramoyl-L-alanyl-D-glutamate--2,6-diaminopimelate ligase 0.1815 0.2941 0.2932
Loa Loa (eye worm) FolC protein 0.0602 0.0962 1
Onchocerca volvulus 0.0033 0.0034 0.0189
Brugia malayi Cathepsin L-like precursor 0.0033 0.0034 0.0352
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0016 0.0167
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0034 0.9205
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Loa Loa (eye worm) cysteine protease 0.0033 0.0034 0.0352
Mycobacterium ulcerans folylpolyglutamate synthase protein FolC 0.1815 0.2941 0.2918
Echinococcus granulosus kelch ECH associated protein 1 0.0092 0.0129 0.1275
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0034 0.0352
Leishmania major cathepsin L-like protease 0.0033 0.0034 0.0352
Schistosoma mansoni 5-methyl tetrahydrofolate-homocysteine methyltransferase reductase 0.002 0.0012 0.0067
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Brugia malayi Cathepsin L-like precursor 0.0022 0.0016 0.0167
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Loa Loa (eye worm) hypothetical protein 0.0022 0.0016 0.0167
Entamoeba histolytica cysteine proteinase 2 0.0017 0.0008 0.209
Brugia malayi Cathepsin L-like cysteine proteinase 0.0022 0.0016 0.0167
Plasmodium vivax vivapain-2 0.0033 0.0034 0.0352
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0115 0.0168 0.1744
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0034 0.0352
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0016 0.0105
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase (murE) 0.3558 0.5782 0.5782
Trypanosoma cruzi cysteine peptidase, putative 0.0033 0.0034 0.0352
Echinococcus multilocularis cysteine protease 0.0033 0.0034 0.0274
Loa Loa (eye worm) FAD binding domain-containing protein 0.0032 0.0033 0.0338
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Loa Loa (eye worm) hypothetical protein 0.0032 0.0033 0.0338
Echinococcus granulosus cathepsin l cysteine peptidase 0.0033 0.0034 0.0274
Trypanosoma cruzi cruzipain precursor, putative 0.0126 0.0186 0.193
Leishmania major cathepsin L-like protease 0.0033 0.0034 0.0352
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0008 0.209
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Echinococcus multilocularis NADPH dependent diflavin oxidoreductase 1 0.0032 0.0033 0.026
Brugia malayi FolC bifunctional protein 0.0602 0.0962 1
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0033 0.0034 0.0352
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0034 0.0352
Onchocerca volvulus 0.0033 0.0034 0.0189
Loa Loa (eye worm) FAD binding domain-containing protein 0.002 0.0012 0.0129
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl tripeptide synthase 0.1815 0.2941 0.2189
Leishmania major cathepsin L-like protease 0.0033 0.0034 0.0352
Brugia malayi cathepsin L-like precursor 0.0022 0.0016 0.0167
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 0.0033 0.0338
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Loa Loa (eye worm) hypothetical protein 0.0033 0.0034 0.0352
Mycobacterium tuberculosis Probable folylpolyglutamate synthase protein FolC (folylpoly-gamma-glutamate synthetase) (FPGS) 0.1815 0.2941 0.2189
Schistosoma mansoni NADPH flavin oxidoreductase 0.0016 0.0006 0.0004
Onchocerca volvulus 0.0033 0.0034 0.0189
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0008 0.209
Onchocerca volvulus 0.0033 0.0034 0.0189
Mycobacterium ulcerans UDP-N-acetylmuramate--L-alanine ligase 0.3558 0.5782 0.5768
Trypanosoma cruzi cysteine peptidase, putative 0.0017 0.0008 0.008
Loa Loa (eye worm) hypothetical protein 0.0022 0.0016 0.0167
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Trypanosoma cruzi cysteine proteinase, putative 0.0017 0.0008 0.008
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0033 0.0034 0.0352
Trypanosoma cruzi folylpolyglutamate synthetase 0.0602 0.0962 1
Trypanosoma cruzi p450 reductase, putative 0.0032 0.0033 0.0338
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0008 0.008
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0008 0.0018
Plasmodium vivax vivapain-2 0.0033 0.0034 0.0352
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Entamoeba histolytica hypothetical protein 0.0035 0.0037 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Trypanosoma cruzi cysteine peptidase, putative 0.0126 0.0186 0.193
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Plasmodium falciparum cysteine proteinase falcipain 1 0.0017 0.0008 0.008
Entamoeba histolytica hypothetical protein 0.0035 0.0037 1
Echinococcus granulosus methionine synthase reductase 0.002 0.0012 0.0049
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Brugia malayi Cathepsin L-like precursor 0.0033 0.0034 0.0352
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0034 0.0352
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.0034 0.0274
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.0034 0.0352
Leishmania major NADPH-cytochrome p450 reductase-like protein 0.0032 0.0033 0.0338
Plasmodium vivax NADPH-cytochrome p450 reductase, putative 0.0032 0.0033 0.0338
Onchocerca volvulus 0.0033 0.0034 0.0189
Giardia lamblia Hypothetical protein 0.0029 0.0027 0.5
Trypanosoma brucei NADPH-cytochrome p450 reductase, putative 0.0032 0.0033 0.0338
Leishmania major folylpolyglutamate synthetase 0.0602 0.0962 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0037 0.0305
Leishmania major cathepsin L-like protease 0.0033 0.0034 0.0352
Brugia malayi Cathepsin L-like precursor 0.0033 0.0034 0.0352
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0008 0.008
Onchocerca volvulus Cathepsin L homolog 0.0033 0.0034 0.0189
Entamoeba histolytica cysteine proteinase, putative 0.0033 0.0034 0.9205
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0016 0.0167
Onchocerca volvulus 0.0033 0.0034 0.0189
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Brugia malayi Papain family cysteine protease containing protein 0.0033 0.0034 0.0352
Leishmania major cytochrome P450 reductase, putative 0.0029 0.0027 0.0276
Brugia malayi hypothetical protein 0.0035 0.0037 0.0383
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0033 0.0034 0.0352
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Chlamydia trachomatis UDP-N-acetylmuramoylalanine--D-glutamate ligase 0.1815 0.2941 0.2932
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.0034 0.0292
Echinococcus multilocularis methionine synthase reductase 0.002 0.0012 0.0049
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Giardia lamblia Nitric oxide synthase, inducible 0.0029 0.0027 0.5
Trypanosoma cruzi cysteine protease, putative 0.0017 0.0008 0.008
Echinococcus granulosus folylpolyglutamate synthase, mitochondrial 0.0602 0.0962 1
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0037 0.0305
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Trypanosoma cruzi cysteine peptidase (N-terminal), putative 0.0017 0.0008 0.008
Leishmania major cysteine peptidase A (CPA) 0.0033 0.0034 0.0352
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 0.0033 0.0338
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Plasmodium vivax unspecified product 0.0017 0.0008 0.008
Brugia malayi Cathepsin L-like precursor 0.0033 0.0034 0.0352
Echinococcus multilocularis cysteine protease 0.0033 0.0034 0.0274
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.0034 0.0274
Trypanosoma brucei folylpolyglutamate synthase, putative 0.0602 0.0962 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0034 0.0352
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0008 0.0018
Trichomonas vaginalis NADPH fad oxidoreductase, putative 0.0029 0.0027 0.0276
Toxoplasma gondii bifunctional protein FolC subfamily protein 0.0602 0.0962 1
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0033 0.0034 0.0352
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0034 0.0352
Trypanosoma cruzi cysteine peptidase, putative 0.0126 0.0186 0.193
Loa Loa (eye worm) ctsf protein 0.0033 0.0034 0.0352
Entamoeba histolytica cysteine protease, putative 0.0033 0.0034 0.9205
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Loa Loa (eye worm) hypothetical protein 0.0022 0.0016 0.0167
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0008 0.008
Entamoeba histolytica hypothetical protein 0.0035 0.0037 1
Mycobacterium ulcerans UDP-N-acetylmuramyl tripeptide synthase 0.0602 0.0962 0.0933
Entamoeba histolytica hypothetical protein 0.0035 0.0037 1
Trypanosoma cruzi cysteine peptidase, putative 0.0126 0.0186 0.193
Echinococcus granulosus NADPH cytochrome P450 reductase 0.0032 0.0033 0.026
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Treponema pallidum folylpolyglutamate synthetase (folC) 0.1815 0.2941 0.2941
Trichomonas vaginalis sulfite reductase, putative 0.0032 0.0033 0.0338
Plasmodium vivax vivapain-3 0.0017 0.0008 0.008
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.0129 0.1275
Trypanosoma cruzi NADPH-dependent FMN/FAD containing oxidoreductase, putative 0.0032 0.0033 0.0338
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.6144 1 1
Trypanosoma cruzi cysteine proteinase, putative 0.0017 0.0008 0.008
Leishmania major cathepsin L-like protease 0.0126 0.0186 0.193
Schistosoma mansoni hypothetical protein 0.0035 0.0037 0.0322
Leishmania major cathepsin L-like protease 0.0126 0.0186 0.193
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0017 0.0008 0.008
Trypanosoma cruzi folylpolyglutamate synthase, putative 0.0602 0.0962 1
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0602 0.0962 1
Plasmodium falciparum cysteine proteinase falcipain 3 0.0033 0.0034 0.0352
Leishmania major cathepsin L-like protease 0.0033 0.0034 0.0352
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramate-alanine ligase 0.3558 0.5782 0.5333
Brugia malayi FAD binding domain containing protein 0.0032 0.0033 0.0338
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0016 0.4354
Toxoplasma gondii cathepsin CPL 0.0033 0.0034 0.0292
Brugia malayi Cathepsin L-like precursor 0.0033 0.0034 0.0352
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0037 0.0322
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.0129 0.1275
Echinococcus multilocularis Kelch repeat type 1 0.0092 0.013 0.1279
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Trypanosoma cruzi major cysteine proteinase, putative 0.0099 0.0142 0.1472
Brugia malayi Papain family cysteine protease containing protein 0.0017 0.0008 0.008
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Brugia malayi flavodoxin family protein 0.0032 0.0033 0.0338
Echinococcus multilocularis NADPH cytochrome P450 reductase 0.0032 0.0033 0.026
Brugia malayi FAD binding domain containing protein 0.002 0.0012 0.0129
Schistosoma mansoni folylpolyglutamate synthase 0.0602 0.0962 1
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0033 0.0034 0.0352
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Entamoeba histolytica cysteine proteinase 1, putative 0.0017 0.0008 0.209
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0017 0.0008 0.008
Entamoeba histolytica cysteine proteinase, putative 0.0017 0.0008 0.209
Onchocerca volvulus Cathepsin L homolog 0.0033 0.0034 0.0189
Plasmodium vivax flavodoxin domain containing protein 0.0029 0.0027 0.0276
Brugia malayi Cathepsin L-like precursor 0.0033 0.0034 0.0352
Echinococcus granulosus cathepsin l1 0.0022 0.0016 0.0087
Plasmodium vivax vivapain-1 0.0017 0.0008 0.008
Trypanosoma brucei NADPH-dependent diflavin oxidoreductase 1 0.0032 0.0033 0.0338
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0034 0.0352
Treponema pallidum UDP-N-acetylmuramoylalanine--D-glutamate ligase (murD) 0.1815 0.2941 0.2941
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Leishmania major cathepsin L-like protease 0.0126 0.0186 0.193
Echinococcus granulosus cathepsin l1 0.0033 0.0034 0.0274
Echinococcus granulosus cathepsin L cysteine proteinase 0.0033 0.0034 0.0274
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Treponema pallidum UDP-N-acetylmuramate--L-alanine ligase 0.3558 0.5782 0.5782
Echinococcus granulosus folylpolyglutamate synthase mitochondrial 0.0602 0.0962 1
Mycobacterium leprae PROBABLE FOLYLPOLYGLUTAMATE SYNTHASE PROTEIN FOLC (FOLYLPOLY-GAMMA-GLUTAMATE SYNTHETASE) (FPGS) 0.1815 0.2941 0.2189
Leishmania major p450 reductase, putative 0.0032 0.0033 0.0338
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Plasmodium falciparum dihydrofolate synthase/folylpolyglutamate synthase 0.0602 0.0962 1
Mycobacterium leprae ProbableUDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.6144 1 1
Onchocerca volvulus 0.0033 0.0034 0.0189
Brugia malayi Cathepsin L-like precursor 0.0022 0.0016 0.0167
Echinococcus multilocularis cathepsin L cysteine protease 0.0033 0.0034 0.0274
Echinococcus granulosus kelch ECH associated protein 1 like 0.0092 0.0129 0.1275
Trypanosoma brucei NADPH--cytochrome P450 reductase, putative 0.0032 0.0033 0.0338
Schistosoma mansoni hypothetical protein 0.0092 0.013 0.1295
Plasmodium vivax dihydrofolate synthase/folylpolyglutamate synthase, putative 0.0602 0.0962 1
Plasmodium falciparum nitric oxide synthase, putative 0.0032 0.0033 0.0338
Onchocerca volvulus Cathepsin F homolog 0.0033 0.0034 0.0189
Treponema pallidum UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate--D-alanyl-D-alanine ligase (murF) 0.6144 1 1
Onchocerca volvulus Putative folylpolyglutamate synthase 0.0602 0.0962 1
Echinococcus multilocularis folylpolyglutamate synthase, mitochondrial 0.0602 0.0962 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0034 0.0352
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0126 0.0186 0.193
Chlamydia trachomatis bifunctional UDP-N-acetylmuramate-alanine ligase/D-alanine-D-alanine ligase 0.3558 0.5782 0.5777
Wolbachia endosymbiont of Brugia malayi UDP-N-acetylmuramyl pentapeptide synthase 0.6144 1 1
Mycobacterium tuberculosis Probable UDP-N-acetylmuramoylalanyl-D-glutamyl-2,6-diaminopimelate-D-alanyl-D-alanyl ligase MurF 0.6144 1 1
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Echinococcus multilocularis kelch ECH associated protein 1 0.0092 0.0129 0.1275
Trypanosoma cruzi cytochrome P450 reductase, putative 0.0032 0.0033 0.0338
Entamoeba histolytica cysteine protease, putative 0.0017 0.0008 0.209
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0033 0.0034 0.0352
Schistosoma mansoni cytochrome P450 reductase 0.0032 0.0033 0.0277
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0033 0.0034 0.0352
Schistosoma mansoni cathepsin F (C01 family) 0.0033 0.0034 0.0292
Mycobacterium ulcerans UDP-N-acetylmuramoylalanyl-D-glutamate--2,6-diaminopimelate ligase 0.3558 0.5782 0.5768
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0033 0.0034 0.0274
Echinococcus granulosus NADPH dependent diflavin oxidoreductase 1 0.0032 0.0033 0.026
Schistosoma mansoni SmCL2-like peptidase (C01 family) 0.0017 0.0008 0.0018
Mycobacterium ulcerans UDP-N-acetylmuramoyl-L-alanyl-D-glutamate synthetase 0.1815 0.2941 0.2918

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) = 12 uM Compound was evaluated for the Inhibition of induced isoform of Inducible nitric oxide synthase ChEMBL. 9526553
IC50 (binding) = 12 uM Compound was evaluated for the Inhibition of induced isoform of Inducible nitric oxide synthase ChEMBL. 9526553
IC50 (binding) = 150 uM Compound was evaluated for the Inhibition of Neuronal nitric oxide synthase ChEMBL. 9526553
IC50 (binding) = 150 uM Compound was evaluated for the Inhibition of Neuronal nitric oxide synthase ChEMBL. 9526553
IC50 (binding) = 8420 uM Compound was evaluated for the Inhibition of endothelial isoform of Endothelial nitric oxide synthase (eNOS)enzyme ChEMBL. 9526553
IC50 (binding) = 8420 uM Compound was evaluated for the Inhibition of endothelial isoform of Endothelial nitric oxide synthase (eNOS)enzyme ChEMBL. 9526553
Selectivity index (binding) = 12 Selectivity index determined by the ratio of IC50 of nNOS to the iNOS ChEMBL. 9526553
Selectivity index (binding) = 700 Selectivity index determined by the ratio of IC50 of eNOS to the iNOS ChEMBL. 9526553

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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