Detailed information for compound 306941

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 489.584 | Formula: C24H31N3O6S
  • H donors: 4 H acceptors: 5 LogP: -1.18 Rotable bonds: 10
    Rule of 5 violations (Lipinski): 1
  • SMILES: O=C([C@H](Cc1ccccc1)N)NC[C@H]1OCC[C@H]1SC1=C(C(=O)O)N2C([C@H]1C)[C@H](C2=O)[C@H](O)C
  • InChi: 1S/C24H31N3O6S/c1-12-19-18(13(2)28)23(30)27(19)20(24(31)32)21(12)34-17-8-9-33-16(17)11-26-22(29)15(25)10-14-6-4-3-5-7-14/h3-7,12-13,15-19,28H,8-11,25H2,1-2H3,(H,26,29)(H,31,32)/t12-,13-,15+,16-,17-,18-,19?/m1/s1
  • InChiKey: DXIRUJVPTOMPFH-WAPRAFGESA-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
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0751 0.1131 0.1131
Echinococcus multilocularis endothelin converting enzyme 1 0.0288 0.0389 0.1241
Loa Loa (eye worm) hypothetical protein 0.0218 0.0276 0.0724
Echinococcus granulosus cathepsin b 0.0141 0.0151 0.0475
Trypanosoma cruzi prolyl endopeptidase 0.0255 0.0335 0.1081
Trichomonas vaginalis N-myristoyl transferase, putative 0.1299 0.2011 0.6488
Brugia malayi N-myristoyltransferase 2 0.1977 0.31 0.8136
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0124 0.0125 0.0753
Loa Loa (eye worm) peptidase family M13 containing protein 0.0213 0.0268 0.0703
Brugia malayi peptidase family M13 containing protein 0.007 0.0038 0.0089
Giardia lamblia CDC72 0.1977 0.31 1
Plasmodium vivax dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1048 0.1609 0.5182
Schistosoma mansoni gamma-secretase subunit aph-1 0.0243 0.0315 0.0315
Loa Loa (eye worm) zinc metallopeptidase 4 0.007 0.0038 0.01
Schistosoma mansoni neprilysin 0.0075 0.0046 0.0046
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0049 0.0004 0.0014
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0751 0.1131 0.3649
Echinococcus multilocularis thioredoxin glutathione reductase 0.0124 0.0125 0.039
Trypanosoma brucei trypanothione reductase 0.0124 0.0125 0.0404
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1048 0.1609 0.4216
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0077 0.0049 0.0143
Brugia malayi glutathione reductase 0.0124 0.0125 0.0317
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.023 0.0295 0.0295
Brugia malayi Eukaryotic aspartyl protease family protein 0.023 0.0295 0.0764
Treponema pallidum ATP-dependent RNA helicase 0.0049 0.0004 0.5
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0101 0.0088 0.0285
Brugia malayi Matrixin family protein 0.0051 0.0007 0.0008
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0075 0.0046 0.0046
Echinococcus granulosus caspase 2 0.0057 0.0017 0.0041
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0141 0.0151 0.0151
Brugia malayi aspartic protease BmAsp-2, identical 0.023 0.0295 0.0764
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.1977 0.31 1
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.2419 0.3809 1
Brugia malayi Cell death protein 3 precursor 0.0057 0.0017 0.0033
Schistosoma mansoni cathepsin D (A01 family) 0.2082 0.3269 0.3269
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0421 0.0601 0.1927
Loa Loa (eye worm) thioredoxin reductase 0.0124 0.0125 0.0328
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.1977 0.31 1
Loa Loa (eye worm) glutathione reductase 0.0124 0.0125 0.0328
Onchocerca volvulus Eukaryotic initiation factor 4A homolog 0.0049 0.0004 0.0113
Loa Loa (eye worm) hypothetical protein 0.0218 0.0276 0.0724
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.023 0.0295 0.0295
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.023 0.0295 0.0295
Trichomonas vaginalis N-myristoyl transferase, putative 0.1977 0.31 1
Trypanosoma cruzi Aph-1 protein, putative 0.0095 0.0077 0.025
Plasmodium falciparum plasmepsin III 0.023 0.0295 0.0939
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0421 0.0601 0.1927
Mycobacterium ulcerans dihydroorotate dehydrogenase 2 0.1048 0.1609 1
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0751 0.1131 0.364
Trypanosoma brucei N-myristoyl transferase, putative 0.1977 0.31 1
Loa Loa (eye worm) hypothetical protein 0.0255 0.0335 0.088
Schistosoma mansoni cathepsin D (A01 family) 0.2082 0.3269 0.3269
Brugia malayi Dihydroorotate dehydrogenase, mitochondrial precursor, putative 0.1048 0.1609 0.4216
Plasmodium falciparum dihydroorotate dehydrogenase 0.1048 0.1609 0.5182
Brugia malayi prolyl oligopeptidase family protein 0.0255 0.0335 0.0869
Toxoplasma gondii aspartyl protease ASP1 0.0751 0.1131 0.7033
Echinococcus granulosus dihydropyrimidine dehydrogenase NADP 0.0421 0.0601 0.1927
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.0151 0.0151
Trypanosoma cruzi dihydroorotate dehydrogenase (fumarate), putative 0.1048 0.1609 0.5189
Echinococcus granulosus thioredoxin glutathione reductase 0.0124 0.0125 0.039
Echinococcus multilocularis prolyl endopeptidase 0.0255 0.0335 0.1068
Mycobacterium tuberculosis Probable protease II PtrBb [second part] (oligopeptidase B) 0.0101 0.0088 0.0523
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.023 0.0295 0.1834
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1048 0.1609 0.5189
Echinococcus granulosus prolyl endopeptidase 0.0255 0.0335 0.1068
Loa Loa (eye worm) hypothetical protein 0.0049 0.0004 0.0012
Plasmodium falciparum plasmepsin VIII, putative 0.023 0.0295 0.0939
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0049 0.0004 0.0014
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0243 0.0315 0.0828
Echinococcus granulosus endothelin converting enzyme 1 0.0288 0.0389 0.1241
Schistosoma mansoni hypothetical protein 0.0075 0.0046 0.0046
Trypanosoma brucei Aph-1 protein, putative 0.0095 0.0077 0.025
Plasmodium vivax aspartyl proteinase, putative 0.0751 0.1131 0.364
Leishmania major eukaryotic initiation factor 4a, putative 0.0049 0.0004 0.0014
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.007 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.0218 0.0276 0.0724
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0409 0.0583 0.188
Trypanosoma cruzi Eukaryotic initiation factor 4A-1 0.0049 0.0004 0.0014
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0288 0.0389 0.2395
Brugia malayi Pepsin A precursor 0.023 0.0295 0.0764
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.0151 0.0151
Mycobacterium tuberculosis Probable dihydroorotate dehydrogenase PyrD 0.1048 0.1609 1
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.023 0.0295 0.0295
Plasmodium vivax plasmepsin V, putative 0.023 0.0295 0.0939
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0141 0.0151 0.0151
Loa Loa (eye worm) hypothetical protein 0.0213 0.0268 0.0703
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0101 0.0088 0.0285
Loa Loa (eye worm) peptidase family M13 containing protein 0.0213 0.0268 0.0703
Mycobacterium tuberculosis Probable protease II PtrBa [first part] (oligopeptidase B) 0.0228 0.0292 0.1793
Trypanosoma cruzi N-myristoyl transferase, putative 0.1977 0.31 1
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0409 0.0583 0.188
Entamoeba histolytica dihydropyrimidine dehydrogenase, putative 0.0421 0.0601 0.1927
Schistosoma mansoni caspase-7 (C14 family) 0.0057 0.0017 0.0017
Echinococcus multilocularis dihydropyrimidine dehydrogenase (NADP+) 0.0421 0.0601 0.1927
Brugia malayi hypothetical protein 0.023 0.0295 0.0764
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0409 0.0583 0.188
Trichomonas vaginalis dihydropyrimidine dehydrogenase, putative 0.0409 0.0583 0.188
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0751 0.1131 0.7033
Mycobacterium leprae Probable dihydroorotate dehydrogenase PyrD 0.1048 0.1609 1
Loa Loa (eye worm) hypothetical protein 0.0751 0.1131 0.297
Leishmania major trypanothione reductase 0.0124 0.0125 0.0404
Trypanosoma brucei Eukaryotic initiation factor 4A-1 0.0049 0.0004 0.0014
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.1977 0.31 1
Loa Loa (eye worm) hypothetical protein 0.0141 0.0151 0.0397
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0049 0.0004 0.0014
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.0409 0.0583 0.188
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0049 0.0004 0.0004
Plasmodium falciparum plasmepsin IV 0.0751 0.1131 0.364
Brugia malayi Zinc finger, C2H2 type family protein 0.0409 0.0583 0.152
Schistosoma mansoni memapsin-2 (A01 family) 0.1049 0.161 0.161
Plasmodium falciparum plasmepsin VI 0.0751 0.1131 0.364
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0146 0.0159 0.0159
Loa Loa (eye worm) matrixin family protein 0.0051 0.0007 0.0019
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.1141 0.1757 0.1757
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0421 0.0601 0.1939
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0141 0.0151 0.0488
Brugia malayi Angiotensin-converting enzyme family protein 0.2419 0.3809 1
Brugia malayi glutathione transferase 0.0206 0.0256 0.066
Loa Loa (eye worm) hypothetical protein 0.0288 0.0389 0.102
Schistosoma mansoni hypothetical protein 0.0075 0.0046 0.0046
Plasmodium vivax plasmepsin IV, putative 0.0751 0.1131 0.364
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.023 0.0295 0.0295
Brugia malayi Peptidase family M13 containing protein 0.0288 0.0389 0.101
Plasmodium falciparum glutathione reductase 0.0124 0.0125 0.039
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0255 0.0335 0.1081
Echinococcus multilocularis cathepsin b 0.0141 0.0151 0.0475
Schistosoma mansoni DEAD box ATP-dependent RNA helicase 0.0049 0.0004 0.0004
Mycobacterium tuberculosis Probable peptidase 0.0101 0.0088 0.0523
Toxoplasma gondii aspartyl protease ASP3 0.0475 0.0688 0.4277
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0146 0.0159 0.0159
Toxoplasma gondii eukaryotic initiation factor-4A, putative 0.0049 0.0004 0.0027
Trypanosoma cruzi N-myristoyl transferase, putative 0.1977 0.31 1
Loa Loa (eye worm) matrixin family protein 0.0047 0.0001 0.0002
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.007 0.0038 0.0038
Loa Loa (eye worm) hypothetical protein 0.023 0.0295 0.0775
Echinococcus multilocularis caspase 2 0.0057 0.0017 0.0041
Onchocerca volvulus 0.023 0.0295 0.8803
Schistosoma mansoni N-myristoyltransferase 0.1977 0.31 0.31
Plasmodium vivax aspartyl protease, putative 0.0475 0.0688 0.2208
Loa Loa (eye worm) hypothetical protein 0.0288 0.0389 0.102
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0751 0.1131 0.364
Schistosoma mansoni hypothetical protein 0.0075 0.0046 0.0046
Schistosoma mansoni endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase) 0.007 0.0038 0.0038
Leishmania major dihydroorotate dehydrogenase 0.1048 0.1609 0.5189
Brugia malayi cathepsin B-like cysteine proteinase 0.0141 0.0151 0.0386
Toxoplasma gondii prolyl endopeptidase 0.0255 0.0335 0.2083
Trichomonas vaginalis DEAD box ATP-dependent RNA helicase, putative 0.0049 0.0004 0.0014
Leishmania major eukaryotic initiation factor 4a, putative 0.0049 0.0004 0.0014
Loa Loa (eye worm) hypothetical protein 0.0213 0.0268 0.0703
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.023 0.0295 0.0295
Trypanosoma cruzi trypanothione reductase, putative 0.0124 0.0125 0.0404
Loa Loa (eye worm) hypothetical protein 0.0288 0.0389 0.102
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0146 0.0159 0.0159
Plasmodium falciparum plasmepsin IX 0.0475 0.0688 0.2208
Schistosoma mansoni hypothetical protein 0.0075 0.0046 0.0046
Loa Loa (eye worm) aspartyl protease 6 0.023 0.0295 0.0775
Wolbachia endosymbiont of Brugia malayi dihydroorotate dehydrogenase 2 0.1048 0.1609 0.5
Schistosoma mansoni endothelin-converting enzyme-related 0.007 0.0038 0.0038
Plasmodium vivax thioredoxin reductase, putative 0.0124 0.0125 0.039
Plasmodium vivax aspartyl protease, putative 0.023 0.0295 0.0939
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0751 0.1131 0.297
Loa Loa (eye worm) hypothetical protein 0.0213 0.0268 0.0703
Loa Loa (eye worm) N-myristoyltransferase 2 0.1977 0.31 0.8138
Plasmodium falciparum thioredoxin reductase 0.0124 0.0125 0.039
Brugia malayi Thioredoxin reductase 0.0124 0.0125 0.0317
Trypanosoma brucei dihydroorotate dehydrogenase (fumarate) 0.1048 0.1609 0.5189
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0255 0.0335 0.0335
Giardia lamblia Translation initiation factor eIF-4A, putative 0.0049 0.0004 0.0014
Mycobacterium ulcerans zinc metalloprotease 0.0288 0.0389 0.1975
Plasmodium falciparum plasmepsin V 0.023 0.0295 0.0939
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0101 0.0088 0.0285
Loa Loa (eye worm) hypothetical protein 0.0206 0.0256 0.0671
Toxoplasma gondii peptidase family M13 protein 0.0288 0.0389 0.2416
Loa Loa (eye worm) hypothetical protein 0.0213 0.0268 0.0703
Loa Loa (eye worm) hypothetical protein 0.0218 0.0276 0.0724
Trypanosoma cruzi oligopeptidase b 0.0101 0.0088 0.0285
Onchocerca volvulus 0.023 0.0295 0.8803
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0146 0.0159 0.0159
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0077 0.0049 0.0143
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.007 0.0038 0.0038
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.007 0.0038 0.0038
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0101 0.0088 0.0285
Trypanosoma brucei oligopeptidase b 0.0101 0.0088 0.0285
Onchocerca volvulus 0.0143 0.0155 0.4613
Plasmodium vivax aspartyl protease, putative 0.0475 0.0688 0.2208
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0288 0.0389 0.0389
Brugia malayi gamma-secretase subunit aph-1 0.0243 0.0315 0.0817
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.1977 0.31 1
Toxoplasma gondii dihydroorotate dehydrogenase reveal, putative 0.1048 0.1609 1
Brugia malayi aspartic protease BmAsp-1, identical 0.023 0.0295 0.0764
Loa Loa (eye worm) aspartic protease BmAsp-1 0.023 0.0295 0.0775
Plasmodium falciparum plasmepsin VII 0.023 0.0295 0.0939
Schistosoma mansoni dihydroorotate dehydrogenase 0.1048 0.1609 0.1609
Onchocerca volvulus Cell death protein 3 homolog 0.0057 0.0017 0.0491
Trichomonas vaginalis dihydroorotate dehydrogenase, putative 0.0421 0.0601 0.1939
Leishmania major oligopeptidase b 0.0101 0.0088 0.0285
Mycobacterium leprae probable zinc metalloprotease 0.0288 0.0389 0.1975
Schistosoma mansoni hypothetical protein 0.0075 0.0046 0.0046
Trypanosoma brucei prolyl endopeptidase 0.0255 0.0335 0.1081
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.1977 0.31 1
Echinococcus granulosus gamma secretase subunit aph 1 0.0243 0.0315 0.1005
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.023 0.0295 0.0295
Schistosoma mansoni prolyl oligopeptidase (S09 family) 0.0255 0.0335 0.0335
Plasmodium vivax glutathione reductase, putative 0.0124 0.0125 0.039
Echinococcus multilocularis gamma secretase subunit aph 1 0.0243 0.0315 0.1005
Plasmodium falciparum plasmepsin I 0.0751 0.1131 0.364
Trypanosoma cruzi Aph-1 protein, putative 0.0095 0.0077 0.025
Leishmania major N-myristoyl transferase, putative 0.1977 0.31 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.0276 0.0724
Trypanosoma brucei prolyl oligopeptidase, putative 0.0101 0.0088 0.0285
Trypanosoma brucei N-myristoyltransferase 0.1977 0.31 1
Loa Loa (eye worm) hypothetical protein 0.0218 0.0276 0.0724
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.023 0.0295 0.0295
Echinococcus granulosus cathepsin b 0.0141 0.0151 0.0475
Plasmodium vivax aspartyl proteinase, putative 0.023 0.0295 0.0939
Toxoplasma gondii aspartyl protease 0.023 0.0295 0.1834
Trypanosoma cruzi oligopeptidase b 0.0101 0.0088 0.0285
Schistosoma mansoni hypothetical protein 0.0075 0.0046 0.0046
Plasmodium falciparum plasmepsin X 0.0475 0.0688 0.2208
Loa Loa (eye worm) hypothetical protein 0.0057 0.0017 0.0045
Onchocerca volvulus Prolyl endopeptidase homolog 0.0255 0.0335 1
Loa Loa (eye worm) hypothetical protein 0.0143 0.0155 0.0407
Trypanosoma cruzi dihydroorotate dehydrogenase, putative 0.1048 0.1609 0.5189
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0288 0.0389 0.101
Toxoplasma gondii thioredoxin reductase 0.0124 0.0125 0.0778
Echinococcus multilocularis cathepsin b 0.0141 0.0151 0.0475
Brugia malayi hypothetical protein 0.023 0.0295 0.0764
Plasmodium falciparum plasmepsin II 0.0751 0.1131 0.364
Schistosoma mansoni neprilysin-2 (M13 family) 0.0146 0.0159 0.0159
Loa Loa (eye worm) hypothetical protein 0.023 0.0295 0.0775

Activities

Activity type Activity value Assay description Source Reference
ED50 (functional) mg kg-1 Tested for oral activity against S. aureus smith infection in mice after single subcutaneous dose(SSC); Not tested ChEMBL. No reference
ED50 (functional) mg kg-1 Tested for oral activity against S. aureus smith infection in mice after single oral dose(SOD); Not tested ChEMBL. No reference
ED50 (functional) 0 mg kg-1 Tested for oral activity against S. aureus smith infection in mice after single subcutaneous dose(SSC); Not tested ChEMBL. No reference
ED50 (functional) 0 mg kg-1 Tested for oral activity against S. aureus smith infection in mice after single oral dose(SOD); Not tested ChEMBL. No reference
ED50 (functional) = 13 mg kg-1 Tested for oral activity against E. coli #311 infection in mice after single subcutaneous dose(SSC) ChEMBL. No reference
ED50 (functional) = 13 mg kg-1 Tested for oral activity against E. coli #311 infection in mice after single subcutaneous dose(SSC) ChEMBL. No reference
ED50 (functional) 24 mg kg-1 Tested for oral activity against E. coli #311 infection in mice after single oral dose(SOD) ChEMBL. No reference
ED50 (functional) 24 mg kg-1 Tested for oral activity against E. coli #311 infection in mice after single oral dose(SOD) ChEMBL. No reference
MIC (functional) = 0.06 ug ml-1 In vitro antimicrobial activity against E. coli GC 2205 strain ChEMBL. No reference
MIC (functional) = 0.06 ug ml-1 In vitro antimicrobial activity against E. coli GC 2205 strain ChEMBL. No reference
MIC (functional) = 0.25 ug ml-1 In vitro antimicrobial activity against S. aureus ATCC 29213 strain ChEMBL. No reference
MIC (functional) = 0.5 ug ml-1 In vitro antimicrobial activity against E. coli ATCC 25922 strain ChEMBL. No reference
MIC (functional) = 0.5 ug ml-1 In vitro antimicrobial activity against E. coli GC 1792 strain ChEMBL. No reference
MIC (functional) = 0.5 ug ml-1 In vitro antimicrobial activity against E. coli ATCC 25922 strain ChEMBL. No reference
MIC (functional) = 0.5 ug ml-1 In vitro antimicrobial activity against E. coli GC 1792 strain ChEMBL. No reference
MIC (functional) = 1 ug ml-1 In vitro antimicrobial activity against E. faecalis GC 842 strain ChEMBL. No reference
MIC (functional) = 2 ug ml-1 In vitro antimicrobial activity against M. morganii GC 2213 strain ChEMBL. No reference
MIC (functional) = 4 ug ml-1 In vitro antimicrobial activity against E. cloacae GC 2209 strain ChEMBL. No reference
MIC (functional) = 8 ug ml-1 In vitro antimicrobial activity against C. freundii GC 2211 strain ChEMBL. No reference
MIC (functional) = 8 ug ml-1 In vitro antimicrobial activity against S. aureus GC 2220 strain ChEMBL. No reference
MIC (functional) = 32 ug ml-1 In vitro antimicrobial activity against A. calcoaceticus GC 756 strain ChEMBL. No reference
MIC (functional) = 64 ug ml-1 In vitro antimicrobial activity against P. aeruginosa ATCC 27853 strain ChEMBL. No reference
MIC (functional) = 128 ug ml-1 In vitro antimicrobial activity against P. aeruginosa GC 1544 strain ChEMBL. No reference
MIC (functional) > 128 ug ml-1 In vitro antimicrobial activity against X. maltophilia GC 562 strain ChEMBL. No reference
MIC (functional) = 128 ug ml-1 In vitro antimicrobial activity against E. faecium GC 1182 strain ChEMBL. No reference
Ratio (functional) = 1.8 Ratio of ED50 of single oral dose to ED50 of single subcutaneous dose against E. coli #311 infection in mice ChEMBL. No reference

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

No literature references available for this target.

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