Detailed information for compound 52255

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 424 | Formula: C21H30ClN3O2S
  • H donors: 1 H acceptors: 3 LogP: 5.63 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(c1cc(cc(c1S(=O)(=O)N/N=C/c1ccncc1)C(C)C)C(C)C)C.Cl
  • InChi: 1S/C21H29N3O2S.ClH/c1-14(2)18-11-19(15(3)4)21(20(12-18)16(5)6)27(25,26)24-23-13-17-7-9-22-10-8-17;/h7-16,24H,1-6H3;1H/b23-13+;
  • InChiKey: QVJNADYMMWWCHY-PUZWSPMBSA-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 multilocularis puromycin sensitive aminopeptidase 0.0045 0.0053 0.0499
Schistosoma mansoni niemann-pick C1 (NPC1) 0.0113 0.0272 0.1042
Leishmania major cysteine peptidase C (CPC),CPC cysteine peptidase, Clan CA, family C1, Cathepsin B-like 0.0047 0.006 0.0753
Treponema pallidum polypeptide deformylase (def) 0.0235 0.0662 0.5
Trypanosoma brucei calpain-like cysteine peptidase, putative 0.0062 0.0107 0.1345
Echinococcus granulosus inhibitor of apoptosis protein 0.0056 0.0089 0.0835
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.007 0.0132 0.1664
Loa Loa (eye worm) hypothetical protein 0.0113 0.0272 0.0272
Trypanosoma brucei calpain-like protein, putative 0.0062 0.0107 0.1345
Loa Loa (eye worm) aminopeptidase N 0.007 0.0132 0.0132
Chlamydia trachomatis peptide deformylase 0.0235 0.0662 1
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0053 0.0668
Brugia malayi cathepsin B-like cysteine proteinase 0.0143 0.0367 0.0367
Schistosoma mansoni calpain-7 (C02 family) 0.0062 0.0107 0.0408
Echinococcus multilocularis calpain A 0.0171 0.0458 0.4295
Echinococcus granulosus peroxidasin 0.0072 0.0139 0.1303
Trypanosoma brucei 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0275 0.0793 1
Loa Loa (eye worm) POT family protein 0.0133 0.0334 0.0334
Brugia malayi hypothetical protein 0.0035 0.0021 0.0021
Schistosoma mansoni hypothetical protein 0.0176 0.0475 0.1816
Echinococcus multilocularis cathepsin b 0.0143 0.0367 0.3443
Mycobacterium ulcerans hydroxymethylglutaryl-coenzyme a (HMG-CoA) reductase 0.0275 0.0793 1
Echinococcus multilocularis calpain 0.0062 0.0107 0.1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Loa Loa (eye worm) blistered cuticle protein 3 0.0072 0.0139 0.0139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0171 0.0458 0.1753
Plasmodium falciparum plasmepsin IX 0.0091 0.0202 0.305
Loa Loa (eye worm) hypothetical protein 0.0143 0.0367 0.0367
Echinococcus granulosus cathepsin b 0.0143 0.0367 0.3443
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 0.0367 0.1406
Echinococcus multilocularis dipeptidyl aminopeptidaseprotein 0.0361 0.1067 1
Echinococcus granulosus calpain 7 C02 family 0.0062 0.0107 0.1
Loa Loa (eye worm) calpain 5 0.0043 0.0047 0.0047
Onchocerca volvulus Chorion peroxidase homolog 0.0072 0.0139 0.1303
Schistosoma mansoni hypothetical protein 0.0056 0.0089 0.0341
Echinococcus granulosus dna polymerase kappa 0.0045 0.0053 0.0496
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Schistosoma mansoni transcription factor LCR-F1 0.0035 0.0021 0.0079
Echinococcus multilocularis hypothetical protein 0.0062 0.0107 0.1
Entamoeba histolytica calpain large subunit domain III containing protein 0.0043 0.0047 0.3563
Loa Loa (eye worm) hypothetical protein 0.0091 0.0201 0.0201
Schistosoma mansoni peroxidasin 0.0072 0.0139 0.0532
Echinococcus granulosus L aminoadipate semialdehyde 0.0091 0.0201 0.1887
Echinococcus granulosus calpain 0.0062 0.0107 0.1
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.0047 0.006 0.179
Echinococcus granulosus puromycin sensitive aminopeptidase 0.007 0.0132 0.1236
Brugia malayi Peptidase family M1 containing protein 0.007 0.0132 0.0132
Loa Loa (eye worm) hypothetical protein 0.0056 0.0089 0.0089
Plasmodium vivax peptide deformylase, putative 0.0235 0.0662 1
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0053 0.0668
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Onchocerca volvulus 0.0056 0.0089 0.0835
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Echinococcus multilocularis Dipeptidyl peptidase 9 0.0121 0.0298 0.2791
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0129 0.0323 0.9691
Giardia lamblia Cathepsin B precursor 0.0047 0.006 0.179
Mycobacterium leprae PROBABLE POLYPEPTIDE DEFORMYLASE DEF (PDF) (FORMYLMETHIONINE DEFORMYLASE) 0.0235 0.0662 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Echinococcus granulosus calpain A 0.0171 0.0458 0.4295
Plasmodium falciparum peptide deformylase 0.0235 0.0662 1
Echinococcus multilocularis aminopeptidase N 0.0237 0.0668 0.6263
Loa Loa (eye worm) subtilase 0.0842 0.2613 0.2613
Schistosoma mansoni dipeptidyl-peptidase 9 (S09 family) 0.0121 0.0298 0.1139
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0171 0.0458 0.1753
Loa Loa (eye worm) hypothetical protein 0.0212 0.0589 0.0589
Schistosoma mansoni subfamily S9B unassigned peptidase (S09 family) 0.0361 0.1067 0.4082
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0107 0.1345
Loa Loa (eye worm) prolyl oligopeptidase 0.0361 0.1067 0.1067
Echinococcus multilocularis inhibitor of apoptosis protein 0.0056 0.0089 0.0835
Schistosoma mansoni patched 1 0.0113 0.0272 0.1042
Echinococcus granulosus baculoviral IAP repeat containing protein 0.0056 0.0089 0.0835
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Trypanosoma cruzi kinesin, putative 0.0043 0.0047 0.0593
Schistosoma mansoni hypothetical protein 0.0035 0.0021 0.0079
Schistosoma mansoni peroxidasin 0.0072 0.0139 0.0532
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase 0.0275 0.0793 1
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0143 0.0367 0.4634
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Schistosoma mansoni tripeptidyl-peptidase II (S08 family) 0.0842 0.2613 1
Brugia malayi Subtilase family protein 0.0842 0.2613 0.2613
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0047 0.006 0.0228
Echinococcus granulosus dipeptidyl aminopeptidaseprotein 0.0361 0.1067 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0107 0.1345
Trypanosoma brucei serine peptidase, Clan SC, Family S9B 0.0121 0.0298 0.3756
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0056 0.0089 0.0089
Brugia malayi prolyl oligopeptidase family protein 0.0121 0.0298 0.0298
Brugia malayi polk-prov protein 0.0034 0.0018 0.0018
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0129 0.0323 0.9691
Schistosoma mansoni calpain C (C02 family) 0.0062 0.0107 0.0408
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.009 0.0196 0.2471
Echinococcus granulosus NAD dependent deacetylase sirtuin 1 0.0132 0.0333 0.3125
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0035 0.0021 0.0194
Echinococcus multilocularis peroxidasin 0.0072 0.0139 0.1303
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0107 0.1345
Onchocerca volvulus Dual oxidase homolog 0.0072 0.0139 0.1303
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.007 0.0132 0.1236
Echinococcus multilocularis baculoviral IAP repeat containing protein 0.0056 0.0089 0.0835
Trypanosoma brucei DNA polymerase IV, putative 0.0045 0.0053 0.0668
Onchocerca volvulus 0.0072 0.0139 0.1303
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.0139 0.0139
Toxoplasma gondii hypothetical protein 0.0235 0.0662 1
Giardia lamblia 3-hydroxy-3-methylglutaryl-coenzyme A reductase 0.0129 0.0323 0.9691
Schistosoma mansoni calpain (C02 family) 0.0062 0.0107 0.0408
Brugia malayi calpain family protein 1 0.0164 0.0434 0.0434
Toxoplasma gondii dipeptidyl peptidase iv (dpp iv) n-terminal region domain-containing protein 0.0121 0.0298 0.4496
Trypanosoma brucei Aminopeptidase M1, putative 0.007 0.0132 0.1664
Plasmodium vivax aspartyl protease, putative 0.0091 0.0202 0.305
Trichomonas vaginalis conserved hypothetical protein 0.0113 0.0272 0.8167
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0035 0.0021 0.0194
Echinococcus granulosus calpain 5 0.0062 0.0107 0.1
Loa Loa (eye worm) hypothetical protein 0.0115 0.0277 0.0277
Trypanosoma brucei Dipeptidyl-peptidase 8-like, putative 0.0121 0.0298 0.3756
Echinococcus granulosus Niemann Pick C1 protein 0.0113 0.0272 0.2553
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Onchocerca volvulus Peroxidasin homolog 0.0072 0.0139 0.1303
Loa Loa (eye worm) hypothetical protein 0.0056 0.0089 0.0089
Mycobacterium tuberculosis Probable polypeptide deformylase Def (PDF) (formylmethionine deformylase) 0.0235 0.0662 1
Onchocerca volvulus Deterin homolog 0.0056 0.0089 0.0835
Loa Loa (eye worm) hypothetical protein 0.0145 0.0375 0.0375
Echinococcus multilocularis NAD dependent deacetylase sirtuin 1 0.0132 0.0333 0.3125
Brugia malayi prolyl oligopeptidase family protein 0.0361 0.1067 0.1067
Brugia malayi calpain 7 0.0062 0.0107 0.0107
Plasmodium vivax calpain, putative 0.0062 0.0107 0.1611
Trypanosoma cruzi 3-hydroxy-3-methylglutaryl-CoA reductase, putative 0.0275 0.0793 1
Trypanosoma brucei calpain-like protein, putative 0.0062 0.0107 0.1345
Schistosoma mansoni family C2 unassigned peptidase (C02 family) 0.0164 0.0434 0.1662
Onchocerca volvulus 0.007 0.0132 0.1236
Echinococcus granulosus calpain A 0.0062 0.0107 0.1
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0139 0.0139
Trypanosoma cruzi dipeptidyl-peptidase 8-like serine peptidase 0.0121 0.0298 0.3756
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0018 0.0224
Echinococcus granulosus Protein patched homolog 1 0.0113 0.0272 0.2553
Trichomonas vaginalis 3-hydroxy-3-methylglutaryl-coenzyme A reductase, putative 0.0129 0.0323 0.9691
Echinococcus granulosus geminin 0.0176 0.0475 0.445
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Trypanosoma cruzi kinesin, putative 0.0043 0.0047 0.0593
Trypanosoma cruzi Peptide deformylase 2, putative 0.009 0.0196 0.2471
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0132 0.0333 1
Onchocerca volvulus 0.0072 0.0139 0.1303
Trypanosoma brucei Aminopeptidase M1, putative 0.007 0.0132 0.1664
Loa Loa (eye worm) cathepsin B 0.0047 0.006 0.006
Trypanosoma cruzi serine peptidase, Clan SC, Family S9B 0.0121 0.0298 0.3756
Loa Loa (eye worm) peptidase family M1 containing protein 0.0191 0.0523 0.0523
Leishmania major 3-hydroxy-3-methylglutaryl-CoA reductase 0.0275 0.0793 1
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Schistosoma mansoni family M1 non-peptidase homologue (M01 family) 0.0045 0.0053 0.0204
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.007 0.0132 0.0505
Onchocerca volvulus Peroxidase homolog 0.0072 0.0139 0.1303
Brugia malayi aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase 0.0091 0.0201 0.0201
Echinococcus multilocularis dna polymerase kappa 0.0045 0.0053 0.0496
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0139 0.0139
Toxoplasma gondii aspartyl protease ASP3 0.0091 0.0202 0.305
Schistosoma mansoni inhibitor of apoptosis (iap) domain family member 0.0056 0.0089 0.0341
Loa Loa (eye worm) calpain 0.0062 0.0107 0.0107
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0132 0.0333 1
Giardia lamblia NAD-dependent histone deacetylase Sir2 0.0132 0.0333 1
Leishmania major polypeptide deformylase-like protein, putative 0.009 0.0196 0.2471
Entamoeba histolytica aminopeptidase, putative 0.007 0.0132 1
Leishmania major calpain, putative,cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0107 0.1345
Echinococcus granulosus family C2 unassigned peptidase C02 family 0.0171 0.0458 0.4295
Trypanosoma brucei unspecified product 0.0038 0.003 0.0375
Trypanosoma cruzi Aminopeptidase M1, putative 0.007 0.0132 0.1664
Entamoeba histolytica hypothetical protein 0.0035 0.0021 0.1569
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0132 0.0333 1
Leishmania major calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0107 0.1345
Onchocerca volvulus 0.0091 0.0201 0.1887
Loa Loa (eye worm) calpain family protein 1 0.0121 0.0295 0.0295
Schistosoma mansoni aminoadipate-semialdehyde dehydrogenase 0.0091 0.0201 0.077
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.3143 1 1
Brugia malayi hypothetical protein 0.0072 0.0139 0.0139
Giardia lamblia Cathepsin B precursor 0.0047 0.006 0.179
Echinococcus granulosus hydroxymethylglutaryl coenzyme A reductase 0.0275 0.0793 0.743
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Trypanosoma brucei calpain-like protein, putative 0.0062 0.0107 0.1345
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Trypanosoma brucei calpain-like protein, putative 0.0062 0.0107 0.1345
Echinococcus granulosus aminopeptidase N 0.0237 0.0668 0.6263
Echinococcus multilocularis family C2 unassigned peptidase (C02 family) 0.0171 0.0458 0.4295
Trichomonas vaginalis chromatin regulatory protein sir2, putative 0.0132 0.0333 1
Brugia malayi POT family protein 0.0133 0.0334 0.0334
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0107 0.1345
Trypanosoma cruzi Peptide deformylase 2, putative 0.009 0.0196 0.2471
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0045 0.0053 0.0053
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.007 0.0132 0.3955
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.007 0.0132 0.1664
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0107 0.1345
Brugia malayi hypothetical protein 0.007 0.0132 0.0132
Onchocerca volvulus 0.0237 0.0668 0.6263
Echinococcus granulosus puromycin sensitive aminopeptidase 0.007 0.0132 0.1236
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0139 0.0139
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0139 0.0139
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0107 0.1345
Loa Loa (eye worm) hypothetical protein 0.0164 0.0434 0.0434
Leishmania major dipeptidyl-peptidase 8-like serine peptidase, putative,serine peptidase, Clan SC, Family S9B 0.0121 0.0298 0.3756
Mycobacterium ulcerans DNA polymerase IV 0.0045 0.0053 0.0668
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0107 0.1345
Onchocerca volvulus Dipeptidyl peptidase family member 1 homolog 0.0361 0.1067 1
Echinococcus multilocularis calpain 5 0.0062 0.0107 0.1
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.0139 0.0139
Schistosoma mansoni hydroxymethylglutaryl-CoA reductase (NADPH) 0.0275 0.0793 0.3033
Loa Loa (eye worm) hypothetical protein 0.0275 0.0793 0.0793
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Trypanosoma cruzi polypeptide deformylase-like protein, putative 0.009 0.0196 0.2471
Brugia malayi calpain family protein 1 0.0164 0.0434 0.0434
Echinococcus granulosus Dipeptidyl peptidase 9 0.0121 0.0298 0.2791
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Echinococcus multilocularis cathepsin b 0.0143 0.0367 0.3443
Giardia lamblia Cathepsin B precursor 0.0047 0.006 0.179
Echinococcus multilocularis calpain family protein 1, d 0.0121 0.0295 0.277
Echinococcus granulosus cathepsin b 0.0143 0.0367 0.3443
Echinococcus multilocularis sterol regulatory element binding protein 0.0113 0.0272 0.2553
Trypanosoma cruzi aminopeptidase, putative 0.007 0.0132 0.1664
Plasmodium vivax aspartyl protease, putative 0.0091 0.0202 0.305
Entamoeba histolytica protein kinase, putative 0.0043 0.0047 0.3563
Trichomonas vaginalis DNA polymerase eta, putative 0.0045 0.0053 0.1588
Trypanosoma brucei cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0107 0.1345
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0045 0.0053 0.0671
Trypanosoma brucei DNA polymerase kappa, putative 0.0034 0.0018 0.0224
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Schistosoma mansoni calpain-7 (C02 family) 0.0062 0.0107 0.0408
Brugia malayi calpain 5 0.0043 0.0047 0.0047
Echinococcus multilocularis L aminoadipate semialdehyde 0.0091 0.0201 0.1887
Brugia malayi Peroxidasin 0.0072 0.0139 0.0139
Echinococcus granulosus peptidase s8 s53 subtilisin kexin sedolisin 0.0315 0.0921 0.8634
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.007 0.0132 0.0505
Mycobacterium ulcerans aminopeptidase N PepN 0.007 0.0132 0.1664
Toxoplasma gondii cathepsin B 0.0047 0.006 0.0901
Schistosoma mansoni SmCB2 peptidase (C01 family) 0.0143 0.0367 0.1406
Loa Loa (eye worm) hypothetical protein 0.0102 0.0236 0.0236
Wolbachia endosymbiont of Brugia malayi peptide deformylase 0.0235 0.0662 0.5
Loa Loa (eye worm) abnormal chemotaxis protein 14 0.0113 0.0272 0.0272
Brugia malayi Peptidase family M1 containing protein 0.0237 0.0668 0.0668
Echinococcus multilocularis protein patched 0.0113 0.0272 0.2553
Brugia malayi Hydroxymethylglutaryl-coenzyme A reductase family protein 0.0275 0.0793 0.0793
Entamoeba histolytica hypothetical protein 0.0035 0.0021 0.1569
Schistosoma mansoni inhibitor of apoptosis protein 0.0056 0.0089 0.0341
Entamoeba histolytica hypothetical protein 0.0035 0.0021 0.1569
Trypanosoma brucei kinesin, putative 0.0043 0.0047 0.0593
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 0.0367 0.1406
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.007 0.0132 0.1236
Trichomonas vaginalis Clan MA, family M1, aminopeptidase N-like metallopeptidase 0.007 0.0132 0.3955
Trypanosoma cruzi calpain cysteine peptidase, putative 0.0062 0.0107 0.1345
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.007 0.0132 0.1236
Schistosoma mansoni cathepsin D (A01 family) 0.0105 0.0245 0.0937
Trypanosoma brucei DNA polymerase IV, putative 0.0038 0.003 0.0375
Echinococcus multilocularis geminin 0.0176 0.0475 0.445
Schistosoma mansoni cathepsin D (A01 family) 0.0105 0.0245 0.0937
Plasmodium falciparum plasmepsin X 0.0091 0.0202 0.305
Onchocerca volvulus 0.0072 0.0139 0.1303
Leishmania major kinesin, putative 0.0043 0.0047 0.0593
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.007 0.0132 0.1664
Brugia malayi hypothetical protein 0.0093 0.0206 0.0206
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Brugia malayi Inhibitor of Apoptosis domain containing protein 0.0056 0.0089 0.0089
Trypanosoma brucei DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Echinococcus multilocularis Peptidase S8 S53, subtilisin kexin sedolisin 0.0315 0.0921 0.8634
Trypanosoma brucei Polypeptide deformylase 1 0.009 0.0196 0.2471
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.007 0.0132 0.1236
Entamoeba histolytica hypothetical protein 0.0035 0.0021 0.1569
Trypanosoma brucei Peptide deformylase 2 0.009 0.0196 0.2471
Echinococcus multilocularis hydroxymethylglutaryl coenzyme A reductase 0.0275 0.0793 0.743
Echinococcus granulosus puromycin sensitive aminopeptidase 0.007 0.0132 0.1236
Schistosoma mansoni hypothetical protein 0.0176 0.0475 0.1816
Brugia malayi Blistered cuticle protein 3 0.0072 0.0139 0.0139
Trypanosoma cruzi DNA polymerase kappa, putative 0.0045 0.0053 0.0668
Onchocerca volvulus 0.0102 0.0236 0.2211
Loa Loa (eye worm) hypothetical protein 0.0121 0.0295 0.0295
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0107 0.1345
Echinococcus multilocularis calpain 7 (C02 family) 0.0062 0.0107 0.1
Loa Loa (eye worm) animal heme peroxidase 0.0072 0.0139 0.0139
Trypanosoma cruzi cysteine peptidase, Clan CA, family C2, putative 0.0062 0.0107 0.1345
Loa Loa (eye worm) hypothetical protein 0.0167 0.0444 0.0444
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.007 0.0132 0.1664
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0045 0.0053 0.1588
Echinococcus multilocularis Niemann Pick C1 protein 0.0113 0.0272 0.2553
Echinococcus granulosus sterol regulatory element binding protein 0.0113 0.0272 0.2553
Trypanosoma brucei antigen, putative 0.0062 0.0107 0.1345
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Echinococcus granulosus puromycin sensitive aminopeptidase 0.007 0.0132 0.1236
Brugia malayi NAD-dependent deacetylase SIRT1 0.0132 0.0333 0.0333
Onchocerca volvulus Peroxidasin homolog 0.0072 0.0139 0.1303
Onchocerca volvulus Peroxidase homolog 0.0072 0.0139 0.1303
Echinococcus multilocularis protein dispatched 1 0.0113 0.0272 0.2553
Trypanosoma cruzi cysteine peptidase C (CPC), putative 0.0047 0.006 0.0753
Schistosoma mansoni chromatin regulatory protein sir2 0.0132 0.0333 0.1276
Schistosoma mansoni Mername-AA248 (C02 family) 0.0062 0.0107 0.0408
Brugia malayi Animal haem peroxidase family protein 0.0072 0.0139 0.0139
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.007 0.0132 0.1236
Loa Loa (eye worm) hypothetical protein 0.0045 0.0053 0.0053
Loa Loa (eye worm) hypothetical protein 0.0093 0.0206 0.0206
Loa Loa (eye worm) calpain family protein 1 0.0164 0.0434 0.0434
Loa Loa (eye worm) hypothetical protein 0.0034 0.0018 0.0018
Loa Loa (eye worm) hypothetical protein 0.0072 0.0139 0.0139
Trypanosoma cruzi calpain-like cysteine peptidase, putative 0.0062 0.0107 0.1345
Mycobacterium ulcerans peptide deformylase 0.0235 0.0662 0.8354
Brugia malayi CHE-14 protein 0.0113 0.0272 0.0272
Schistosoma mansoni cathepsin B-like peptidase (C01 family) 0.0143 0.0367 0.1406
Loa Loa (eye worm) hypothetical protein 0.0132 0.0333 0.0333
Trypanosoma brucei cysteine peptidase C (CPC) 0.0047 0.006 0.0753
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.007 0.0132 0.1236

Activities

Activity type Activity value Assay description Source Reference
Dose (functional) = 200 mg kg-1 Maximum effective daily dose required to inhibit the tumours of sarcoma 180 ascites cells ChEMBL. 3965708
Dose (functional) = 200 mg kg-1 Maximum effective daily dose required to inhibit the tumours of P388 leukemia ChEMBL. 3965708
Dose (functional) = 200 mg kg-1 Maximum effective daily dose required to inhibit the tumours of P388 leukemia ChEMBL. 3965708
T/C (functional) = 123 % Ratio of average survival time of treated to control mice bearing P388 leukemia ChEMBL. 3965708
T/C (functional) = 123 % Ratio of average survival time of treated to control mice bearing P388 leukemia ChEMBL. 3965708
T/C (functional) = 262 % Ratio of average survival time of treated to control mice bearing sarcoma 180 ascites cells ChEMBL. 3965708
T/C (functional) = 262 % Ratio of average survival time of treated to control mice bearing sarcoma 180 ascites cells ChEMBL. 3965708
Time (functional) = 11.8 day Compound was evaluated for antitumor activity in mice (contorol group) bearing sarcoma 180 ascites cells and average survival time ChEMBL. 3965708
Time (functional) = 13.8 day Compound was evaluated for antitumor activity in mice (contorol group) bearing P388 leukemic cells and average survival time ChEMBL. 3965708
Time (functional) = 13.8 day Compound was evaluated for antitumor activity in mice (contorol group) bearing P388 leukemic cells and average survival time ChEMBL. 3965708
Time (functional) = 17 day Compound was evaluated for antitumor activity in mice bearing P388 leukemic cells and average survival time ChEMBL. 3965708
Time (functional) = 17 day Compound was evaluated for antitumor activity in mice bearing P388 leukemic cells and average survival time ChEMBL. 3965708
Time (functional) = 31 day Compound was evaluated for antitumor activity in mice bearing sarcoma 180 ascites cells and average survival time ChEMBL. 3965708
Weight change (functional) = -3.1 % Average change in body weight from onset to the termination of drug therapy in mice bearing sarcoma 180 ascites cells ChEMBL. 3965708
Weight change (functional) = -3.1 % Average change in body weight from onset to the termination of drug therapy in mice bearing sarcoma 180 ascites cells ChEMBL. 3965708
Weight change (functional) = -0.9 % Compound was evaluated for antitumor activity in mice bearing P388 leukemic cells, and average change in body weight from onset to the termination of therapy ChEMBL. 3965708
Weight change (functional) = -0.9 % Compound was evaluated for antitumor activity in mice bearing P388 leukemic cells, and average change in body weight from onset to the termination of therapy ChEMBL. 3965708

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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