Detailed information for compound 105484

Basic information

Technical information
  • TDR Targets ID: 105484
  • Name: (4S)-4-benzyl-2-thiophen-3-yl-4,5-dihydro-1,3 -oxazole
  • MW: 243.324 | Formula: C14H13NOS
  • H donors: 0 H acceptors: 0 LogP: 3.13 Rotable bonds: 3
    Rule of 5 violations (Lipinski): 1
  • SMILES: c1ccc(cc1)C[C@H]1COC(=N1)c1cscc1
  • InChi: 1S/C14H13NOS/c1-2-4-11(5-3-1)8-13-9-16-14(15-13)12-6-7-17-10-12/h1-7,10,13H,8-9H2/t13-/m0/s1
  • InChiKey: HUHVJSXYULHZJW-ZDUSSCGKSA-N  


Substructure search Similarity search

Network

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Synonyms

  • (4S)-4-benzyl-2-(3-thienyl)-4,5-dihydrooxazole
  • (4S)-4-(phenylmethyl)-2-thiophen-3-yl-4,5-dihydro-1,3-oxazole
  • (4S)-4-benzyl-2-(3-thienyl)-2-oxazoline
  • (4S)-4-(phenylmethyl)-2-(3-thienyl)-4,5-dihydrooxazole
  • (4S)-4-(benzyl)-2-(3-thienyl)-4,5-dihydrooxazole
  • oxazoline 15

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
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0037 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0037 0.0241 0.0241
Brugia malayi hypothetical protein 0.0046 0.0335 0.0321
Onchocerca volvulus 0.0037 0.0241 0.0488
Echinococcus multilocularis muscleblind protein 0.0153 0.143 0.143
Brugia malayi Carboxylesterase family protein 0.0046 0.0335 0.0321
Trypanosoma cruzi histone deacetylase, putative 0.0282 0.2755 0.2576
Trichomonas vaginalis spcc417.12 protein, putative 0.0046 0.0335 0.0096
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.099 1 1
Loa Loa (eye worm) hypothetical protein 0.0046 0.0335 0.0335
Mycobacterium ulcerans carboxylesterase, LipT 0.0046 0.0335 0.3776
Schistosoma mansoni histone deacetylase hda2 0.0282 0.2755 0.2687
Loa Loa (eye worm) peptidase family M13 containing protein 0.0068 0.056 0.056
Schistosoma mansoni histone deacetylase hda2 0.0282 0.2755 0.2687
Toxoplasma gondii peptidase family M13 protein 0.0092 0.0806 0.0579
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0032 0.0194 0.018
Echinococcus multilocularis lamin dm0 0.0028 0.0146 0.0146
Echinococcus granulosus carboxylesterase 5A 0.0273 0.2654 0.2654
Loa Loa (eye worm) hypothetical protein 0.0018 0.0049 0.0049
Loa Loa (eye worm) hypothetical protein 0.0068 0.056 0.056
Loa Loa (eye worm) hypothetical protein 0.0018 0.0049 0.0049
Trypanosoma brucei histone deacetylase 4 0.0282 0.2755 0.2576
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0112 0.0097
Echinococcus granulosus acetylcholinesterase 0.0273 0.2654 0.2654
Loa Loa (eye worm) carboxylesterase 0.0273 0.2654 0.2654
Trypanosoma brucei histone deacetylase 1 0.099 1 1
Loa Loa (eye worm) hypothetical protein 0.0068 0.056 0.056
Loa Loa (eye worm) hypothetical protein 0.007 0.0576 0.0576
Loa Loa (eye worm) transcription factor SMAD2 0.0122 0.1116 0.1116
Mycobacterium tuberculosis Probable zinc metalloprotease Zmp1 0.0092 0.0806 0.3428
Brugia malayi Muscleblind-like protein 0.0153 0.143 0.1417
Brugia malayi Carboxylesterase family protein 0.0046 0.0335 0.0321
Loa Loa (eye worm) hypothetical protein 0.0046 0.0335 0.0335
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0112 0.0831
Schistosoma mansoni acetylcholinesterase 0.0046 0.0335 0.0244
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0032 0.0194 0.0194
Plasmodium vivax histone deacetylase 1, putative 0.099 1 1
Echinococcus multilocularis para nitrobenzyl esterase 0.0046 0.0335 0.0335
Trypanosoma brucei histone deacetylase 2 0.0282 0.2755 0.2576
Mycobacterium tuberculosis Probable esterase LipL 0.0037 0.0241 0.0903
Brugia malayi histone deacetylase 1 (HD1) 0.099 1 1
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.099 1 1
Entamoeba histolytica histone deacetylase, putative 0.099 1 1
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0037 0.0241 0.2535
Trichomonas vaginalis histone deacetylase, putative 0.099 1 1
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0032 0.0194 0.0194
Brugia malayi Histone deacetylase family protein 0.0282 0.2755 0.2744
Loa Loa (eye worm) carboxylesterase 0.0046 0.0335 0.0335
Mycobacterium tuberculosis Probable lipase LipD 0.0037 0.0241 0.0903
Loa Loa (eye worm) hypothetical protein 0.0282 0.2755 0.2755
Mycobacterium leprae conserved hypothetical protein 0.0037 0.0241 0.1859
Loa Loa (eye worm) hypothetical protein 0.0092 0.0806 0.0806
Mycobacterium ulcerans hypothetical protein 0.0037 0.0241 0.2535
Loa Loa (eye worm) carboxylesterase 0.0046 0.0335 0.0335
Onchocerca volvulus 0.0046 0.0335 0.0843
Loa Loa (eye worm) hypothetical protein 0.0027 0.0141 0.0141
Schistosoma mansoni intermediate filament proteins 0.0028 0.0146 0.0054
Loa Loa (eye worm) hypothetical protein 0.007 0.0576 0.0576
Schistosoma mansoni hypothetical protein 0.0024 0.0109 0.0017
Schistosoma mansoni histone deacetylase 0.099 1 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0241 0.0241
Loa Loa (eye worm) histone deacetylase 3 0.099 1 1
Echinococcus multilocularis lamin 0.0028 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.007 0.0576 0.0576
Brugia malayi Peptidase family M13 containing protein 0.0092 0.0806 0.0792
Loa Loa (eye worm) hypothetical protein 0.0046 0.0335 0.0335
Echinococcus multilocularis histone deacetylase 1 0.099 1 1
Echinococcus multilocularis beta LACTamase domain containing family member 0.0037 0.0241 0.0241
Echinococcus granulosus histone deacetylase 3 0.099 1 1
Echinococcus granulosus intermediate filament protein 0.0028 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0037 0.0241 0.0241
Echinococcus multilocularis endothelin converting enzyme 1 0.0092 0.0806 0.0806
Schistosoma mansoni neprilysin 0.0024 0.0109 0.0017
Loa Loa (eye worm) hypothetical protein 0.0046 0.0335 0.0335
Schistosoma mansoni Nep2 peptidase (M13 family) 0.0046 0.0339 0.0248
Leishmania major histone deacetylase, putative 0.0282 0.2755 0.2673
Brugia malayi histone deacetylase 11 0.0282 0.2755 0.2744
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0032 0.0194 0.0194
Mycobacterium ulcerans long-chain fatty-acid CoA ligase 0.0024 0.0112 0.0831
Onchocerca volvulus 0.0037 0.0241 0.0488
Loa Loa (eye worm) hypothetical protein 0.099 1 1
Mycobacterium tuberculosis Conserved protein 0.0037 0.0241 0.0903
Mycobacterium tuberculosis Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase) 0.0024 0.0112 0.0326
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0092 0.0806 0.072
Schistosoma mansoni histone deacetylase 1 2 3 0.0282 0.2755 0.2687
Onchocerca volvulus 0.0046 0.0335 0.0843
Echinococcus multilocularis carboxylesterase 5A 0.0273 0.2654 0.2654
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0112 0.0097
Schistosoma mansoni BC026374 protein (S09 family) 0.0046 0.0335 0.0244
Onchocerca volvulus Histone deacetylase 10 homolog 0.0282 0.2755 1
Loa Loa (eye worm) hypothetical protein 0.0037 0.0241 0.0241
Mycobacterium tuberculosis Conserved protein 0.0037 0.0241 0.0903
Leishmania major histone deacetylase, putative 0.0282 0.2755 0.2673
Trichomonas vaginalis histone deacetylase, putative 0.099 1 1
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0339 0.0248
Plasmodium falciparum histone deacetylase 1 0.099 1 1
Loa Loa (eye worm) zinc metallopeptidase 4 0.0022 0.0093 0.0093
Echinococcus granulosus GPCR family 2 0.0032 0.0194 0.0194
Loa Loa (eye worm) histone deacetylase 11 0.0282 0.2755 0.2755
Mycobacterium ulcerans long-chain-fatty-acid-CoA ligase 0.0024 0.0112 0.0831
Loa Loa (eye worm) hypothetical protein 0.007 0.0576 0.0576
Echinococcus multilocularis histone deacetylase 7 0.0282 0.2755 0.2755
Leishmania major hypothetical protein, conserved 0.0037 0.0241 0.013
Schistosoma mansoni neprilysin-2 (M13 family) 0.0046 0.0339 0.0248
Loa Loa (eye worm) intermediate filament protein 0.0028 0.0146 0.0146
Loa Loa (eye worm) hypothetical protein 0.0102 0.0909 0.0909
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0037 0.0241 0.0903
Echinococcus granulosus histone deacetylase 1 0.099 1 1
Brugia malayi Carboxylesterase family protein 0.0046 0.0335 0.0321
Echinococcus multilocularis neuroligin 0.0046 0.0335 0.0335
Mycobacterium tuberculosis Conserved protein 0.0037 0.0241 0.0903
Loa Loa (eye worm) hypothetical protein 0.0153 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0018 0.0049 0.0049
Mycobacterium tuberculosis Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase) 0.0024 0.0112 0.0326
Plasmodium falciparum histone deacetylase, putative 0.0282 0.2755 0.2719
Toxoplasma gondii histone deacetylase HDAC2 0.099 1 1
Trichomonas vaginalis histone deacetylase, putative 0.099 1 1
Plasmodium vivax hypothetical protein, conserved 0.0037 0.0241 0.0193
Loa Loa (eye worm) histone deacetylase 7A 0.0282 0.2755 0.2755
Onchocerca volvulus 0.0046 0.033 0.0826
Echinococcus granulosus family S9 non peptidase ue S09 family 0.0046 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0112
Schistosoma mansoni histone deacetylase 4 5 0.0282 0.2755 0.2687
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0335 0.1323
Echinococcus multilocularis muscleblind protein 1 0.0153 0.143 0.143
Toxoplasma gondii histone deacetylase HDAC5 0.0282 0.2755 0.2576
Echinococcus multilocularis GPCR, family 2 0.0032 0.0194 0.0194
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0335 0.0244
Brugia malayi Calcitonin receptor-like protein seb-1 0.0102 0.0909 0.0895
Echinococcus granulosus acetylcholinesterase 0.0273 0.2654 0.2654
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0037 0.0241 0.0226
Schistosoma mansoni hypothetical protein 0.0024 0.0109 0.0017
Echinococcus granulosus para nitrobenzyl esterase 0.0046 0.0335 0.0335
Onchocerca volvulus 0.0046 0.0335 0.0843
Echinococcus multilocularis acetylcholinesterase 0.0273 0.2654 0.2654
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0015 0.0015 0.0015
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0335 0.0244
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0112
Brugia malayi Histone deacetylase family protein 0.0282 0.2755 0.2744
Trichomonas vaginalis carboxylesterase domain containing protein, putative 0.0046 0.0335 0.0096
Loa Loa (eye worm) hypothetical protein 0.0068 0.056 0.056
Toxoplasma gondii histone deacetylase HDAC3 0.099 1 1
Loa Loa (eye worm) histone deacetylase 0.0282 0.2755 0.2755
Mycobacterium ulcerans long-chain-fatty-acid--CoA ligase 0.0024 0.0112 0.0831
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0112 0.0831
Brugia malayi Carboxylesterase family protein 0.0273 0.2654 0.2643
Brugia malayi MH2 domain containing protein 0.0122 0.1116 0.1102
Schistosoma mansoni hypothetical protein 0.0024 0.0109 0.0017
Echinococcus granulosus histone deacetylase 0.0282 0.2755 0.2755
Trypanosoma cruzi histone deacetylase, putative 0.0282 0.2755 0.2576
Brugia malayi beta-lactamase family protein 0.0037 0.0241 0.0226
Trichomonas vaginalis histone deacetylase, putative 0.099 1 1
Brugia malayi intermediate filament protein 0.0028 0.0146 0.0132
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0236 0.2276 1
Schistosoma mansoni histone deacetylase 4 5 0.0282 0.2755 0.2687
Mycobacterium tuberculosis Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase) 0.0018 0.0049 0.0045
Brugia malayi Histone deacetylase 1 0.099 1 1
Loa Loa (eye worm) hypothetical protein 0.0018 0.0049 0.0049
Schistosoma mansoni gliotactin 0.0046 0.0335 0.0244
Loa Loa (eye worm) hypothetical protein 0.0092 0.0806 0.0806
Echinococcus granulosus histone deacetylase 6 0.0282 0.2755 0.2755
Echinococcus granulosus neuroligin 0.0046 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0028 0.0146 0.0146
Trypanosoma cruzi histone deacetylase, putative 0.0282 0.2755 0.2576
Leishmania major histone deacetylase, putative 0.099 1 1
Trichomonas vaginalis histone deacetylase, putative 0.099 1 1
Schistosoma mansoni histone deacetylase 0.099 1 1
Mycobacterium tuberculosis POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT) 0.0046 0.0335 0.1323
Loa Loa (eye worm) hypothetical protein 0.0037 0.0241 0.0241
Echinococcus granulosus histone deacetylase 6 0.0282 0.2755 0.2755
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0241 0.0149
Schistosoma mansoni hypothetical protein 0.0032 0.0194 0.0102
Echinococcus granulosus histone deacetylase 8 0.0282 0.2755 0.2755
Mycobacterium ulcerans hypothetical protein 0.0024 0.0112 0.0831
Onchocerca volvulus 0.0046 0.0335 0.0843
Loa Loa (eye worm) peptidase family M13 containing protein 0.0068 0.056 0.056
Schistosoma mansoni hypothetical protein 0.0024 0.0109 0.0017
Mycobacterium tuberculosis Carboxylesterase LipT 0.0046 0.0335 0.1323
Mycobacterium ulcerans acyl-CoA synthetase 0.0024 0.0112 0.0831
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0024 0.0109 0.0017
Mycobacterium tuberculosis Probable lipase LipE 0.0037 0.0241 0.0903
Mycobacterium ulcerans esterase/lipase LipP 0.0037 0.0241 0.2535
Toxoplasma gondii histone deacetylase HDAC1 0.0282 0.2755 0.2576
Loa Loa (eye worm) histone deacetylase 1 0.099 1 1
Onchocerca volvulus 0.0037 0.0241 0.0488
Mycobacterium ulcerans zinc metalloprotease 0.0092 0.0806 1
Onchocerca volvulus 0.0028 0.0146 0.0129
Schistosoma mansoni family M13 non-peptidase homologue (M13 family) 0.0046 0.0339 0.0248
Loa Loa (eye worm) hypothetical protein 0.0024 0.0112 0.0112
Loa Loa (eye worm) hypothetical protein 0.0273 0.2654 0.2654
Brugia malayi Latrophilin receptor protein 2 0.0032 0.0194 0.018
Echinococcus multilocularis histone deacetylase 8 0.0282 0.2755 0.2755
Echinococcus multilocularis histone deacetylase 6 0.0282 0.2755 0.2755
Echinococcus multilocularis musashi 0.0028 0.0146 0.0146
Brugia malayi latrophilin 2 splice variant baaae 0.007 0.0578 0.0564
Brugia malayi Hypothetical zinc metalloproteinase T16A9.4 0.0092 0.0806 0.0792
Loa Loa (eye worm) hypothetical protein 0.007 0.0576 0.0576
Onchocerca volvulus 0.0028 0.0146 0.0129
Plasmodium vivax histone deacetylase 2, putative 0.0282 0.2755 0.2719
Loa Loa (eye worm) hypothetical protein 0.0032 0.0194 0.0194
Brugia malayi Carboxylesterase family protein 0.0046 0.0335 0.0321
Plasmodium vivax histone deacetylase, putative 0.0282 0.2755 0.2719
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0037 0.0241 0.0903
Schistosoma mansoni hypothetical protein 0.0024 0.0109 0.0017
Brugia malayi Intermediate filament tail domain containing protein 0.0028 0.0146 0.0132
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0037 0.0241 0.0903
Loa Loa (eye worm) hypothetical protein 0.007 0.0576 0.0576
Loa Loa (eye worm) hypothetical protein 0.0046 0.0335 0.0335
Loa Loa (eye worm) hypothetical protein 0.0046 0.0335 0.0335
Schistosoma mansoni neuroligin 3 (S09 family) 0.0046 0.0335 0.0244
Echinococcus granulosus lamin dm0 0.0028 0.0146 0.0146
Brugia malayi beta-lactamase 0.0037 0.0241 0.0226
Trypanosoma brucei histone deacetylase 3 0.0282 0.2755 0.2576
Plasmodium falciparum histone deacetylase 2 0.0282 0.2755 0.2719
Brugia malayi Carboxylesterase family protein 0.0273 0.2654 0.2643
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0102 0.0909 0.0909
Schistosoma mansoni lamin 0.0028 0.0146 0.0054
Trichomonas vaginalis histone deacetylase, putative 0.099 1 1
Schistosoma mansoni hypothetical protein 0.007 0.0578 0.049
Echinococcus granulosus endothelin converting enzyme 1 0.0092 0.0806 0.0806
Brugia malayi beta-lactamase family protein 0.0037 0.0241 0.0226
Giardia lamblia Histone deacetylase 0.099 1 0.5
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0046 0.0335 0.0244
Plasmodium vivax histone deacetylase, putative 0.0282 0.2755 0.2719
Toxoplasma gondii histone deacetylase HDAC4 0.0282 0.2755 0.2576
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.0028 0.0146 0.0146
Echinococcus multilocularis histone deacetylase 3 0.099 1 1
Schistosoma mansoni hypothetical protein 0.0024 0.0109 0.0017
Echinococcus multilocularis family S9 non peptidase ue (S09 family) 0.0046 0.0335 0.0335
Brugia malayi peptidase family M13 containing protein 0.0022 0.0093 0.0078
Schistosoma mansoni hypothetical protein 0.0032 0.0194 0.0102
Mycobacterium leprae Probable lipase LipE 0.0037 0.0241 0.1859
Echinococcus multilocularis histone deacetylase 6 0.0282 0.2755 0.2755
Trypanosoma cruzi histone deacetylase, putative 0.0282 0.2755 0.2576
Mycobacterium ulcerans lipase LipD 0.0037 0.0241 0.2535
Onchocerca volvulus 0.0046 0.0335 0.0843
Loa Loa (eye worm) beta-lactamase 0.0037 0.0241 0.0241
Echinococcus granulosus lamin 0.0028 0.0146 0.0146
Leishmania major histone deacetylase, putative 0.099 1 1
Echinococcus multilocularis acetylcholinesterase 0.0273 0.2654 0.2654
Trypanosoma cruzi histone deacetylase 1, putative 0.099 1 1
Echinococcus granulosus histone deacetylase 6 0.0282 0.2755 0.2755
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0032 0.0194 0.0194
Echinococcus granulosus muscleblind protein 0.0153 0.143 0.143
Loa Loa (eye worm) hypothetical protein 0.0037 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0068 0.056 0.056
Loa Loa (eye worm) acetylcholinesterase 1 0.0273 0.2654 0.2654
Trypanosoma brucei histone deacetylase, putative 0.0282 0.2755 0.2576
Echinococcus granulosus histone deacetylase 7 0.0282 0.2755 0.2755
Schistosoma mansoni family M13 unassigned peptidase (M13 family) 0.0046 0.0339 0.0248
Loa Loa (eye worm) hypothetical protein 0.007 0.0578 0.0578
Echinococcus granulosus beta LACTamase domain containing family member 0.0037 0.0241 0.0241
Loa Loa (eye worm) hypothetical protein 0.0092 0.0806 0.0806
Loa Loa (eye worm) hypothetical protein 0.0046 0.033 0.033
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0102 0.0909 0.0895
Schistosoma mansoni hypothetical protein 0.0032 0.0194 0.0102
Mycobacterium leprae probable zinc metalloprotease 0.0092 0.0806 1
Brugia malayi AMP-binding enzyme family protein 0.0024 0.0112 0.0097
Chlamydia trachomatis acylglycerophosphoethanolamine acyltransferase 0.0018 0.0049 0.5
Loa Loa (eye worm) hypothetical protein 0.0273 0.2654 0.2654
Loa Loa (eye worm) hypothetical protein 0.0153 0.143 0.143
Trypanosoma cruzi histone deacetylase 1, putative 0.099 1 1
Echinococcus granulosus BC026374 protein S09 family 0.0046 0.0335 0.0335
Echinococcus multilocularis BC026374 protein (S09 family) 0.0046 0.0335 0.0335
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0037 0.0241 0.0149
Mycobacterium tuberculosis Probable hydrolase 0.0037 0.0241 0.0903
Loa Loa (eye worm) hypothetical protein 0.0046 0.0335 0.0335
Mycobacterium ulcerans beta-lactamase 0.0037 0.0241 0.2535
Loa Loa (eye worm) MH2 domain-containing protein 0.0122 0.1116 0.1116
Schistosoma mansoni family S9 non-peptidase homologue (S09 family) 0.0273 0.2654 0.2585
Echinococcus multilocularis histone deacetylase 0.0282 0.2755 0.2755
Trypanosoma cruzi histone deacetylase, putative 0.0282 0.2755 0.2576
Schistosoma mansoni hypothetical protein 0.0032 0.0194 0.0102
Schistosoma mansoni lamin 0.0028 0.0146 0.0054
Loa Loa (eye worm) latrophilin receptor protein 2 0.0032 0.0194 0.0194
Mycobacterium ulcerans fatty-acid-CoA ligase 0.0024 0.0112 0.0831
Loa Loa (eye worm) hypothetical protein 0.0018 0.0049 0.0049
Trichomonas vaginalis histone deacetylase 1, 2 ,3, putative 0.099 1 1
Echinococcus multilocularis histone deacetylase 6 0.0282 0.2755 0.2755

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 100 uM Evaluated for inhibition of enoyl acyl carrier protein reductase (FabI) in Staphylococcus aureus. ChEMBL. 11514139
IC50 (binding) > 100 uM Evaluated for inhibition of enoyl acyl carrier protein reductase (FabI) in Escherichia coli. ChEMBL. 11514139
IC50 (binding) > 100 uM Evaluated for inhibition of enoyl acyl carrier protein reductase (FabI) in Staphylococcus aureus. ChEMBL. 11514139
IC50 (binding) > 100 uM Evaluated for inhibition of enoyl acyl carrier protein reductase (FabI) in Escherichia coli. ChEMBL. 11514139

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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