Detailed information for compound 108919

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 320.34 | Formula: C16H20N2O5
  • H donors: 2 H acceptors: 4 LogP: 1.53 Rotable bonds: 8
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC([C@@H](N1C[C@@H](C1=O)NC(=O)COc1ccccc1)C(=O)O)C
  • InChi: 1S/C16H20N2O5/c1-10(2)14(16(21)22)18-8-12(15(18)20)17-13(19)9-23-11-6-4-3-5-7-11/h3-7,10,12,14H,8-9H2,1-2H3,(H,17,19)(H,21,22)/t12-,14+/m0/s1
  • InChiKey: XRXZPHODHMFVTJ-GXTWGEPZSA-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
Echinococcus granulosus cpg binding protein 0.003 0.0032 0.0083
Plasmodium falciparum plasmepsin VI 0.0348 0.133 0.4699
Loa Loa (eye worm) hypothetical protein 0.0072 0.0202 0.0184
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0109 0.0354 0.0511
Entamoeba histolytica protein farnesyltransferase alpha subunit, putative 0.016 0.056 0.8769
Giardia lamblia Rab geranylgeranyltransferase 0.016 0.056 0.8769
Plasmodium vivax peptide deformylase, putative 0.0224 0.0822 0.2878
Plasmodium vivax plasmepsin V, putative 0.0197 0.0711 0.2479
Schistosoma mansoni hypothetical protein 0.0109 0.0354 0.0511
Loa Loa (eye worm) hypothetical protein 0.0049 0.011 0.0091
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0224 0.0822 0.1826
Toxoplasma gondii histone lysine methyltransferase SET1 0.0054 0.013 0.0397
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0711 0.1054
Schistosoma mansoni hypothetical protein 0.0167 0.0591 0.0872
Echinococcus multilocularis apoptotic protease activating factor 1 0.006 0.0153 0.0864
Schistosoma mansoni chromatin regulatory protein sir2 0.0125 0.042 0.0611
Leishmania major oligopeptidase B-like protein,serine peptidase, clan SC, family S9A-like protein 0.0027 0.0019 0.0301
Trypanosoma cruzi prolyl endopeptidase 0.0027 0.0019 0.0137
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0115 0.0378 0.2708
Toxoplasma gondii hypothetical protein 0.0041 0.0077 0.0209
Loa Loa (eye worm) hypothetical protein 0.0109 0.0354 0.0336
Onchocerca volvulus Deterin homolog 0.0109 0.0354 0.2604
Brugia malayi NAD-dependent deacetylase SIRT1 0.0125 0.042 0.0402
Plasmodium falciparum plasmepsin VIII, putative 0.0197 0.0711 0.2479
Trypanosoma cruzi Peptide deformylase 2, putative 0.0085 0.0257 0.1841
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0072 0.0202 0.0417
Onchocerca volvulus 0.0084 0.0251 0.1801
Plasmodium falciparum peptide deformylase 0.0224 0.0822 0.2878
Trichomonas vaginalis N-myristoyl transferase, putative 0.0117 0.0387 0.2804
Onchocerca volvulus 0.006 0.0153 0.1043
Schistosoma mansoni caspase-7 (C14 family) 0.006 0.0153 0.0205
Brugia malayi Eukaryotic aspartyl protease family protein 0.0197 0.0711 0.0693
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0125 0.042 0.6495
Leishmania major N-myristoyl transferase, putative 0.0178 0.0636 1
Plasmodium vivax protein prenyltransferase alpha subunit, putative 0.0041 0.0077 0.0209
Entamoeba histolytica glycylpeptide N-tetradecanoyltransferase, putative 0.0178 0.0636 1
Brugia malayi Matrixin family protein 0.0059 0.015 0.0131
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0267 0.0999 0.1494
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0109 0.0354 0.2155
Echinococcus multilocularis cathepsin b 0.014 0.0481 0.2972
Schistosoma mansoni hypothetical protein 0.0408 0.1573 0.2369
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0323 0.2312
Echinococcus multilocularis glutamate receptor 2 0.0033 0.0045 0.0166
Loa Loa (eye worm) hypothetical protein 0.0088 0.0267 0.0249
Leishmania major protein farnesyltransferase alpha subunit, putative 0.0041 0.0077 0.1217
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.016 0.056 0.4129
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0033 0.0045 0.0166
Brugia malayi POT family protein 0.0121 0.0401 0.0383
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0109 0.0354 0.0336
Echinococcus multilocularis cathepsin b 0.014 0.0481 0.2972
Schistosoma mansoni protein farnesyltransferase alpha subunit 0.016 0.056 0.0825
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0342 0.1305 0.1961
Echinococcus multilocularis calpain A 0.0058 0.0146 0.0816
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0115 0.0378 0.231
Plasmodium vivax aspartyl protease, putative 0.0711 0.2808 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.014 0.0481 0.3445
Loa Loa (eye worm) cathepsin B 0.0046 0.0097 0.0078
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.01 0.0317 0.1915
Plasmodium vivax prenyltransferase alpha subunit, putative 0.016 0.056 0.194
Schistosoma mansoni glutamate receptor NMDA 0.0033 0.0045 0.0039
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0041 0.0077 0.1217
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0224 0.0822 1
Mycobacterium ulcerans hydrolase 0.0072 0.0202 0.0417
Trypanosoma brucei hypothetical protein, conserved 0.0102 0.0323 0.5072
Trypanosoma brucei Enriched in surface-labeled proteome protein 12 0.0102 0.0323 0.5072
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0056 0.0136 0.0178
Echinococcus granulosus glutamate receptor ionotrophic AMPA 3 0.0033 0.0045 0.0166
Brugia malayi hypothetical protein 0.0088 0.0267 0.0249
Plasmodium falciparum protein farnesyltransferase subunit alpha 0.016 0.056 0.194
Leishmania major oligopeptidase b 0.0027 0.0019 0.0301
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0.0019 0.0137
Trypanosoma brucei cysteine peptidase C (CPC) 0.0046 0.0097 0.153
Brugia malayi hypothetical protein 0.0197 0.0711 0.0693
Plasmodium vivax aspartyl protease, putative 0.0711 0.2808 1
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0323 0.2312
Leishmania major polypeptide deformylase-like protein, putative 0.0085 0.0257 0.4038
Giardia lamblia CDC72 0.0178 0.0636 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0025 0.0006
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0033 0.0045 0.0166
Echinococcus multilocularis dnaJ subfamily B 0.0408 0.1573 1
Echinococcus multilocularis glycylpeptide N tetradecanoyltransferase 0.0178 0.0636 0.3972
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0348 0.133 0.1998
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.016 0.056 0.4129
Plasmodium falciparum plasmepsin IV 0.0348 0.133 0.4699
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.0041 0.0077 0.0058
Trypanosoma brucei Protein prenyltransferase alpha subunit repeat, putative 0.0041 0.0077 0.1217
Schistosoma mansoni hypothetical protein 0.006 0.0153 0.0205
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0077 0.0555
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.016 0.056 0.4129
Loa Loa (eye worm) prenyltransferase alpha subunit repeat containing protein 0.016 0.056 0.0542
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0115 0.0378 0.5941
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.004 0.0072 0.0081
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0109 0.0354 0.0336
Echinococcus multilocularis cpg binding protein 0.003 0.0032 0.0083
Trypanosoma cruzi trypanothione synthetase 0.007 0.0194 0.1392
Toxoplasma gondii cathepsin B 0.0046 0.0097 0.028
Plasmodium falciparum glycylpeptide N-tetradecanoyltransferase 0.0178 0.0636 0.2213
Schistosoma mansoni inhibitor of apoptosis protein 0.0109 0.0354 0.0511
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0711 0.1054
Plasmodium falciparum plasmepsin VII 0.0197 0.0711 0.2479
Schistosoma mansoni N-myristoyltransferase 0.0178 0.0636 0.0941
Brugia malayi aspartic protease BmAsp-1, identical 0.0197 0.0711 0.0693
Trypanosoma cruzi Aph-1 protein, putative 0.0097 0.0303 0.2167
Echinococcus granulosus expressed protein 0.0363 0.139 0.882
Loa Loa (eye worm) hypothetical protein 0.0059 0.015 0.0131
Toxoplasma gondii aspartyl protease ASP3 0.0711 0.2808 1
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0125 0.042 0.3058
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 3 0.0079 0.023 0.1357
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0224 0.0822 0.5
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.014 0.0481 0.0704
Trypanosoma cruzi oligopeptidase B-like protein, putative 0.0027 0.0019 0.0137
Trypanosoma cruzi hypothetical protein, conserved 0.0041 0.0077 0.0555
Trichomonas vaginalis Clan AA, family A1, cathepsin D-like aspartic peptidase 0.0348 0.133 1
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.01 0.0317 0.1915
Schistosoma mansoni hypothetical protein 0.0084 0.0251 0.0353
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.0156 0.0209
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0041 0.0077 0.0555
Plasmodium vivax glycylpeptide N-tetradecanoyltransferase, putative 0.0178 0.0636 0.2213
Trypanosoma brucei Polypeptide deformylase 1 0.0085 0.0257 0.4038
Echinococcus granulosus cathepsin d lysosomal aspartyl protease 0.0348 0.133 0.8435
Echinococcus multilocularis caspase 2 0.006 0.0153 0.0864
Treponema pallidum polypeptide deformylase (def) 0.0224 0.0822 1
Loa Loa (eye worm) hypothetical protein 0.0109 0.0354 0.0336
Echinococcus granulosus inhibitor of apoptosis protein 0.0109 0.0354 0.2155
Trypanosoma brucei trypanothione synthetase, putative 0.007 0.0194 0.3054
Schistosoma mansoni cpg binding protein 0.0029 0.0025 0.0009
Toxoplasma gondii aspartyl protease 0.0197 0.0711 0.2479
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0323 0.2312
Echinococcus granulosus protein prenyltransferase alpha subunit 0.0041 0.0077 0.0375
Loa Loa (eye worm) hypothetical protein 0.0041 0.0076 0.0057
Brugia malayi prolyl oligopeptidase family protein 0.0115 0.0378 0.036
Onchocerca volvulus Matrix metalloproteinase homolog 0.0131 0.0444 0.3302
Echinococcus granulosus cathepsin b 0.014 0.0481 0.2972
Loa Loa (eye worm) hypothetical protein 0.0348 0.133 0.1313
Onchocerca volvulus 0.0029 0.0025 0.0048
Echinococcus granulosus caspase 2 0.006 0.0153 0.0864
Plasmodium falciparum geranylgeranyl transferase type-2 subunit alpha, putative 0.0041 0.0077 0.0209
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0115 0.0378 0.1287
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.2474 1 1
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0046 0.0097 0.153
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0225 0.0824 0.1227
Loa Loa (eye worm) aspartic protease BmAsp-2 0.0348 0.133 0.1313
Plasmodium falciparum plasmepsin III 0.0197 0.0711 0.2479
Echinococcus multilocularis protein prenyltransferase alpha subunit 0.0041 0.0077 0.0375
Brugia malayi Matrixin family protein 0.0059 0.015 0.0131
Brugia malayi aspartic protease BmAsp-2, identical 0.0197 0.0711 0.0693
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0033 0.0045 0.0166
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0085 0.0257 0.1841
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0033 0.0045 0.0166
Schistosoma mansoni gamma-secretase subunit aph-1 0.0248 0.092 0.1373
Leishmania major prolyl oligopeptidase, putative,serine peptidase clan SC, family S9A, putative 0.0027 0.0019 0.0301
Onchocerca volvulus 0.0197 0.0711 0.5377
Loa Loa (eye worm) hypothetical protein 0.016 0.056 0.0542
Onchocerca volvulus 0.0059 0.015 0.1016
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.016 0.056 0.0542
Brugia malayi Matrixin family protein 0.0143 0.0492 0.0474
Entamoeba histolytica Rab geranylgeranyltransferase alpha subunit, putative 0.0041 0.0077 0.0945
Echinococcus multilocularis nmda type glutamate receptor 0.0079 0.023 0.1357
Loa Loa (eye worm) hypothetical protein 0.0059 0.015 0.0131
Brugia malayi cathepsin B-like cysteine proteinase 0.014 0.0481 0.0463
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.014 0.0481 0.0704
Echinococcus granulosus Dipeptidyl peptidase 9 0.0115 0.0378 0.231
Brugia malayi Matrixin family protein 0.0059 0.015 0.0131
Plasmodium vivax aspartyl proteinase, putative 0.0197 0.0711 0.2479
Loa Loa (eye worm) hypothetical protein 0.0197 0.0711 0.0693
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0058 0.0146 0.0193
Trypanosoma brucei Peptide deformylase 2 0.0085 0.0257 0.4038
Onchocerca volvulus Matrilysin homolog 0.0131 0.0444 0.3302
Echinococcus granulosus dnaJ subfamily B 0.0408 0.1573 1
Giardia lamblia Rab geranylgeranyltransferase 0.0041 0.0077 0.0945
Trypanosoma cruzi oligopeptidase b 0.0027 0.0019 0.0137
Loa Loa (eye worm) POT family protein 0.0121 0.0401 0.0383
Trypanosoma cruzi Aph-1 protein, putative 0.0097 0.0303 0.2167
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0125 0.042 0.3058
Giardia lamblia Cathepsin B precursor 0.0046 0.0097 0.1267
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.014 0.0481 0.0704
Brugia malayi hypothetical protein 0.0197 0.0711 0.0693
Loa Loa (eye worm) prolyl oligopeptidase 0.0342 0.1305 0.1289
Trichomonas vaginalis N-myristoyl transferase, putative 0.0178 0.0636 0.4709
Trypanosoma brucei N-myristoyl transferase, putative 0.0178 0.0636 1
Toxoplasma gondii hypothetical protein 0.0118 0.0391 0.1334
Loa Loa (eye worm) aspartic protease BmAsp-1 0.0197 0.0711 0.0693
Schistosoma mansoni hypothetical protein 0.0167 0.0591 0.0872
Schistosoma mansoni cpg binding protein 0.003 0.0032 0.002
Echinococcus granulosus geranylgeranyl transferase type 2 subunit alpha 0.0041 0.0077 0.0375
Loa Loa (eye worm) subtilase 0.0267 0.0999 0.0982
Echinococcus multilocularis calpain family protein 1, d 0.0041 0.0076 0.0364
Trypanosoma brucei prolyl endopeptidase 0.0027 0.0019 0.0301
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0058 0.0146 0.0193
Mycobacterium ulcerans peptide deformylase 0.0224 0.0822 0.1826
Loa Loa (eye worm) hypothetical protein 0.0197 0.0711 0.0693
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0125 0.042 0.3058
Echinococcus multilocularis geranylgeranyl transferase type 2 subunit alpha 0.0041 0.0077 0.0375
Echinococcus multilocularis protein farnesyltransferase alpha subunit 0.016 0.056 0.3483
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0342 0.1305 1
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0058 0.0146 0.0816
Trypanosoma brucei hypothetical protein, conserved 0.0102 0.0323 0.5072
Toxoplasma gondii hypothetical protein 0.0224 0.0822 0.2878
Brugia malayi Cell death protein 3 precursor 0.006 0.0153 0.0134
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0059 0.015 0.0199
Trypanosoma brucei trypanothione synthetase 0.007 0.0194 0.3054
Mycobacterium ulcerans short chain dehydrogenase 0.1104 0.4414 1
Echinococcus multilocularis expressed protein 0.0363 0.139 0.882
Echinococcus granulosus nmda type glutamate receptor 0.0079 0.023 0.1357
Trypanosoma cruzi N-myristoyl transferase, putative 0.0178 0.0636 0.4558
Onchocerca volvulus Matrilysin homolog 0.0059 0.015 0.1016
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0711 0.1054
Plasmodium vivax plasmepsin IV, putative 0.0348 0.133 0.4699
Onchocerca volvulus 0.0197 0.0711 0.5377
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0711 0.1054
Trypanosoma cruzi trypanothione synthetase 0.007 0.0194 0.1392
Chlamydia trachomatis peptide deformylase 0.0224 0.0822 1
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0125 0.042 0.258
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0115 0.0378 0.5941
Loa Loa (eye worm) matrixin family protein 0.0143 0.0492 0.0474
Echinococcus multilocularis glutamate receptor, ionotrophic, AMPA 3 0.0033 0.0045 0.0166
Echinococcus granulosus geminin 0.0167 0.0591 0.3683
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.0085 0.0257 0.1841
Trichomonas vaginalis protein farnesyltransferase alpha subunit/RAB geranylgeranyl transferase alpha subunit, putative 0.0118 0.0391 0.284
Plasmodium vivax aspartyl protease, putative 0.0197 0.0711 0.2479
Schistosoma mansoni cpg binding protein 0.003 0.0032 0.002
Trypanosoma brucei oligopeptidase b 0.0027 0.0019 0.0301
Echinococcus granulosus calpain A 0.0058 0.0146 0.0816
Giardia lamblia Cathepsin B precursor 0.0046 0.0097 0.1267
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0323 0.2312
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0072 0.0202 0.0184
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0125 0.042 0.258
Brugia malayi calpain family protein 1 0.0056 0.0136 0.0117
Brugia malayi N-myristoyltransferase 2 0.0178 0.0636 0.0618
Echinococcus granulosus glycylpeptide N tetradecanoyltransferase 0.0178 0.0636 0.3972
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0025 0.0006
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0711 0.1054
Echinococcus granulosus cathepsin b 0.014 0.0481 0.2972
Leishmania major trypanothione synthetase, putative 0.007 0.0194 0.3054
Trypanosoma cruzi glutathionylspermidine synthase, putative 0.0365 0.1396 1
Onchocerca volvulus 0.0109 0.0354 0.2604
Mycobacterium tuberculosis Probable glutamine-binding lipoprotein GlnH (GLNBP) 0.0057 0.014 0.0275
Trypanosoma cruzi N-myristoyl transferase, putative 0.0178 0.0636 0.4558
Loa Loa (eye worm) calpain family protein 1 0.0056 0.0136 0.0117
Plasmodium falciparum plasmepsin IX 0.0711 0.2808 1
Onchocerca volvulus 0.0035 0.005 0.0239
Echinococcus granulosus Glutamate receptor ionotropic kainate 2 0.0033 0.0045 0.0166
Loa Loa (eye worm) matrixin family protein 0.0131 0.0444 0.0426
Trypanosoma cruzi hypothetical protein, conserved 0.0027 0.0019 0.0137
Trypanosoma cruzi protein farnesyltransferase alpha subunit, putative 0.0041 0.0077 0.0555
Mycobacterium leprae PROBABLE HYDROLASE 0.0072 0.0202 0.2284
Trypanosoma brucei hypothetical protein, conserved 0.0041 0.0077 0.1217
Plasmodium falciparum plasmepsin V 0.0197 0.0711 0.2479
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.1235 0.4946 0.7511
Schistosoma mansoni hypothetical protein 0.0047 0.0102 0.0126
Plasmodium falciparum plasmepsin X 0.0711 0.2808 1
Schistosoma mansoni cathepsin D (A01 family) 0.1635 0.6579 1
Loa Loa (eye worm) gamma-secretase subunit aph-1 0.0248 0.092 0.0903
Schistosoma mansoni cathepsin D (A01 family) 0.1635 0.6579 1
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0342 0.1305 0.8276
Plasmodium vivax aspartyl proteinase, putative 0.0348 0.133 0.4699
Plasmodium falciparum plasmepsin I 0.0348 0.133 0.4699
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0115 0.0378 0.2708
Loa Loa (eye worm) hypothetical protein 0.0059 0.015 0.0131
Loa Loa (eye worm) aspartyl protease 6 0.0197 0.0711 0.0693
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0342 0.1305 0.8276
Schistosoma mansoni memapsin-2 (A01 family) 0.1165 0.4662 0.7077
Echinococcus multilocularis gamma secretase subunit aph 1 0.0248 0.092 0.5797
Trypanosoma cruzi oligopeptidase b 0.0027 0.0019 0.0137
Loa Loa (eye worm) hypothetical protein 0.0109 0.0353 0.0334
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0058 0.0146 0.0816
Echinococcus multilocularis cathepsin d (lysosomal aspartyl protease) 0.0348 0.133 0.8435
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0046 0.0097 0.0597
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0711 0.1054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0046 0.0097 0.0119
Trypanosoma brucei N-myristoyltransferase 0.0178 0.0636 1
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0115 0.0378 0.0547
Loa Loa (eye worm) hypothetical protein 0.0035 0.005 0.0031
Echinococcus granulosus glutamate receptor 2 0.0033 0.0045 0.0166
Echinococcus granulosus apoptotic protease activating factor 1 0.006 0.0153 0.0864
Trypanosoma brucei serine peptidase, clan SC, family S9A-like protein 0.0027 0.0019 0.0301
Echinococcus granulosus protein farnesyltransferase alpha subunit 0.016 0.056 0.3483
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0109 0.0354 0.2155
Loa Loa (eye worm) hypothetical protein 0.014 0.0481 0.0463
Trypanosoma cruzi Protein prenyltransferase alpha subunit repeat, putative 0.0041 0.0077 0.0555
Trichomonas vaginalis protein farnesyltransferase alpha subunit, putative 0.0041 0.0077 0.0445
Brugia malayi Protein prenyltransferase alpha subunit repeat containing protein 0.0041 0.0077 0.0058
Trypanosoma cruzi Peptide deformylase 2, putative 0.0085 0.0257 0.1841
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0046 0.0097 0.0697
Brugia malayi Hemopexin family protein 0.0084 0.0251 0.0232
Brugia malayi Matrixin family protein 0.0059 0.015 0.0131
Brugia malayi calpain family protein 1 0.0056 0.0136 0.0117
Trypanosoma cruzi serine peptidase, clan SC, family S9A-like protein, putative 0.0027 0.0019 0.0137
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0215 0.0786 0.4936
Toxoplasma gondii eukaryotic aspartyl protease superfamily protein 0.0197 0.0711 0.2479
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0711 0.1054
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.014 0.0481 0.0704
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0125 0.042 0.3058
Mycobacterium ulcerans glutamine-binding lipoprotein GlnH 0.0057 0.014 0.0275
Loa Loa (eye worm) matrix metalloproteinase 0.0059 0.015 0.0131
Mycobacterium tuberculosis Probable oxidoreductase 0.1104 0.4414 1
Trypanosoma brucei Alpha/beta hydrolase domain-containing protein 0.0027 0.0019 0.0301
Loa Loa (eye worm) calpain family protein 1 0.0041 0.0076 0.0057
Toxoplasma gondii aspartyl protease ASP1 0.0348 0.133 0.4699
Echinococcus granulosus gamma secretase subunit aph 1 0.0248 0.092 0.5797
Loa Loa (eye worm) hypothetical protein 0.0125 0.042 0.0402
Loa Loa (eye worm) hypothetical protein 0.006 0.0153 0.0134
Brugia malayi Subtilase family protein 0.0267 0.0999 0.0982
Echinococcus multilocularis Glutamate receptor, ionotropic kainate 2 0.0033 0.0045 0.0166
Schistosoma mansoni subfamily A1A unassigned peptidase (A01 family) 0.0197 0.0711 0.1054
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0215 0.0786 0.4936
Onchocerca volvulus 0.0041 0.0077 0.0453
Brugia malayi gamma-secretase subunit aph-1 0.0248 0.092 0.0903
Trypanosoma brucei protein farnesyltransferase alpha subunit, putative 0.0041 0.0077 0.1217
Echinococcus multilocularis inhibitor of apoptosis protein 0.0109 0.0354 0.2155
Onchocerca volvulus Cell death protein 3 homolog 0.006 0.0153 0.1043
Toxoplasma gondii aspartyl proteinase (eimepsin), putative 0.0348 0.133 0.4699
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0115 0.0378 0.5941
Brugia malayi Pepsin A precursor 0.0197 0.0711 0.0693
Trypanosoma brucei Aph-1 protein, putative 0.0097 0.0303 0.4755
Loa Loa (eye worm) N-myristoyltransferase 2 0.0178 0.0636 0.0618
Trypanosoma brucei prolyl oligopeptidase, putative 0.0027 0.0019 0.0301
Trypanosoma cruzi Enriched in surface-labeled proteome protein 12 0.0102 0.0323 0.2312
Plasmodium falciparum plasmepsin II 0.0348 0.133 0.4699
Loa Loa (eye worm) hypothetical protein 0.006 0.0153 0.0134
Giardia lamblia Cathepsin B precursor 0.0046 0.0097 0.1267
Brugia malayi prolyl oligopeptidase family protein 0.0342 0.1305 0.1289
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0041 0.0077 0.0089
Echinococcus multilocularis geminin 0.0167 0.0591 0.3683
Loa Loa (eye worm) hypothetical protein 0.0056 0.0136 0.0117
Brugia malayi hypothetical protein 0.006 0.0153 0.0134

Activities

Activity type Activity value Assay description Source Reference
IC50 (binding) > 250 ug ml-1 Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus ChEMBL. 11514150
IC50 (binding) > 250 ug ml-1 Inhibition of Penicillin-binding protein 2 (PBP2) from Staphylococcus aureus ChEMBL. 11514150
IC50 (binding) > 250 ug ml-1 Inhibition of Penicillin-binding protein 3 (PBP3) from Staphylococcus aureus ChEMBL. 11514150
IC50 (binding) > 250 ug ml-1 Inhibition of Penicillin-binding protein 1 (PBP1) from Staphylococcus aureus ChEMBL. 11514150
IC50 (binding) > 250 ug ml-1 Inhibition of Penicillin-binding protein 2 (PBP2) from Staphylococcus aureus ChEMBL. 11514150
IC50 (binding) > 250 ug ml-1 Inhibition of Penicillin-binding protein 3 (PBP3) from Staphylococcus aureus ChEMBL. 11514150
MIC (functional) = 2 ug ml-1 In vitro antibacterial activity against Staphylococcus aureus; range is 2->32 ChEMBL. 11514150
MIC (functional) = 2 ug ml-1 In vitro antibacterial activity against Klebsiella pneumoniae; range is 2->32 ChEMBL. 11514150
MIC (functional) = 2 ug ml-1 In vitro antibacterial activity against Streptococcus pneumoniae; range is 2->32 ChEMBL. 11514150
T1/2 (ADMET) > 48 hr Half life period of the compound was measured at pH 7.4 in phosphate buffer ChEMBL. 11514150

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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