Detailed information for compound 1593725

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 392.43 | Formula: C17H20N4O5S
  • H donors: 4 H acceptors: 7 LogP: -0.16 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC[C@H]1O[C@@H](Cc2nnn(c2)Cc2nc3c(s2)cccc3)[C@@H]([C@H]([C@@H]1O)O)O
  • InChi: 1S/C17H20N4O5S/c22-8-12-16(24)17(25)15(23)11(26-12)5-9-6-21(20-19-9)7-14-18-10-3-1-2-4-13(10)27-14/h1-4,6,11-12,15-17,22-25H,5,7-8H2/t11-,12+,15-,16+,17+/m0/s1
  • InChiKey: PBVYXXXWOVZUFL-NCZBFZFDSA-N  

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 ubiquitin carboxyl terminal hydrolase 8 0.0039 0.1296 0.2061
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0017 0.0133 0.0211
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0186 0.0296
Brugia malayi Papain family cysteine protease containing protein 0.0018 0.0186 0.0681
Mycobacterium leprae Probable lipase LipE 0.0032 0.0948 1
Schistosoma mansoni hypothetical protein 0.0067 0.2731 0.4344
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0032 0.0948 0.5764
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Loa Loa (eye worm) cysteine protease 0.0018 0.0186 0.093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0186 0.1436
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0046 0.1644 0.2615
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.1296 0.4684
Trichomonas vaginalis penicillin-binding protein, putative 0.0032 0.0948 0.7315
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0046 0.1644 1
Schistosoma mansoni hypothetical protein 0.0036 0.1137 0.1808
Loa Loa (eye worm) hypothetical protein 0.0032 0.0948 0.4735
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0033 0.0991 1
Loa Loa (eye worm) inositol-1 0.0033 0.0991 0.4952
Loa Loa (eye worm) hypothetical protein 0.0032 0.0948 0.4735
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Schistosoma mansoni hypothetical protein 0.0136 0.6287 1
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0046 0.1644 0.2615
Brugia malayi Calcitonin receptor-like protein seb-1 0.0053 0.2001 0.7329
Trichomonas vaginalis penicillin-binding protein, putative 0.0032 0.0948 0.7315
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0033 0.0991 0.3583
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0046 0.1644 0.5944
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0186 0.0296
Plasmodium vivax hypothetical protein, conserved 0.0032 0.0948 1
Trypanosoma cruzi ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.1296 0.4684
Entamoeba histolytica cysteine protease, putative 0.0018 0.0186 0.0681
Schistosoma mansoni hypothetical protein 0.0017 0.0133 0.0211
Schistosoma mansoni ubiquitin-specific peptidase 2 (C19 family) 0.0039 0.1296 0.2061
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0033 0.0991 0.3583
Trichomonas vaginalis esterase, putative 0.0032 0.0948 0.7315
Plasmodium falciparum cysteine proteinase falcipain 2a 0.0018 0.0186 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0033 0.0991 0.765
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0032 0.0948 0.4735
Echinococcus multilocularis cysteine protease 0.0018 0.0186 0.0296
Loa Loa (eye worm) fibroinase 0.0018 0.0186 0.093
Onchocerca volvulus 0.0032 0.0948 1
Toxoplasma gondii ABC1 family protein 0.0032 0.0948 0.946
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0948 0.7315
Brugia malayi Cathepsin L-like precursor 0.0018 0.0186 0.0681
Echinococcus granulosus ubiquitin carboxyl terminal hydrolase 8 0.0039 0.1296 0.2061
Trypanosoma brucei hypothetical protein, conserved 0.0032 0.0948 0.3426
Brugia malayi Cathepsin L-like precursor 0.0018 0.0186 0.0681
Loa Loa (eye worm) ctsf protein 0.0018 0.0186 0.093
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Loa Loa (eye worm) hypothetical protein 0.0032 0.0948 0.4735
Leishmania major cathepsin L-like protease 0.0068 0.2766 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0186 0.1436
Brugia malayi Latrophilin receptor protein 2 0.0017 0.0133 0.0486
Echinococcus multilocularis cysteine protease 0.0018 0.0186 0.0296
Brugia malayi Ubiquitin carboxyl-terminal hydrolase family protein 0.0039 0.1296 0.4744
Loa Loa (eye worm) hypothetical protein 0.0036 0.1137 0.5679
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0018 0.0186 0.093
Brugia malayi Inositol-1 0.0033 0.0991 0.3629
Loa Loa (eye worm) hypothetical protein 0.0032 0.0948 0.4735
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.2766 1
Schistosoma mansoni hypothetical protein 0.0017 0.0133 0.0211
Leishmania major cysteine peptidase A (CPA) 0.0018 0.0186 0.0673
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.2766 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Schistosoma mansoni ubiquitin-specific peptidase 8 (C19 family) 0.0039 0.1296 0.2061
Plasmodium falciparum cysteine proteinase falcipain 3 0.0018 0.0186 0.5
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0948 0.7315
Schistosoma mansoni hypothetical protein 0.0017 0.0133 0.0211
Echinococcus granulosus ubiquitin specific protease 41 0.0039 0.1296 0.2061
Echinococcus multilocularis cathepsin L cysteine protease 0.0018 0.0186 0.0296
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0017 0.0133 0.0486
Echinococcus multilocularis geminin 0.0136 0.6287 1
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.1296 1
Schistosoma mansoni cathepsin F (C01 family) 0.0018 0.0186 0.0296
Echinococcus granulosus GPCR family 2 0.0017 0.0133 0.0211
Leishmania major cathepsin L-like protease 0.0068 0.2766 1
Plasmodium falciparum cysteine proteinase falcipain 2b 0.0018 0.0186 0.5
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0948 0.3426
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Onchocerca volvulus 0.0032 0.0948 1
Trichomonas vaginalis inositol monophosphatase, putative 0.0033 0.0991 0.765
Schistosoma mansoni inositol monophosphatase 0.0033 0.0991 0.1577
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Schistosoma mansoni inositol monophosphatase 0.0033 0.0991 0.1577
Echinococcus multilocularis GPCR, family 2 0.0017 0.0133 0.0211
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0046 0.1644 0.602
Leishmania major ubiquitin hydrolase, putative,cysteine peptidase, Clan CA, family C19, putative 0.0039 0.1296 0.4684
Entamoeba histolytica hypothetical protein 0.0067 0.2731 1
Entamoeba histolytica hypothetical protein 0.0067 0.2731 1
Leishmania major cathepsin L-like protease 0.0018 0.0186 0.0673
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0017 0.0133 0.0211
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0032 0.0948 0.0948
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0043 0.1484 0.7415
Brugia malayi Cathepsin L-like precursor 0.0018 0.0186 0.0681
Giardia lamblia Ubiquitin carboxyl-terminal hydrolase 4 0.0039 0.1296 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0186 0.0681
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0032 0.0948 0.0948
Loa Loa (eye worm) hypothetical protein 0.0018 0.0186 0.093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0186 0.1436
Mycobacterium ulcerans hypothetical protein 0.0032 0.0948 0.5764
Loa Loa (eye worm) hypothetical protein 0.0039 0.1296 0.6474
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0033 0.0991 0.3583
Schistosoma mansoni hypothetical protein 0.0017 0.0133 0.0211
Trichomonas vaginalis Clan CA, family C19, ubiquitin hydrolase-like cysteine peptidase 0.0039 0.1296 1
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.003 0.0811 0.0811
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Mycobacterium ulcerans beta-lactamase 0.0032 0.0948 0.5764
Entamoeba histolytica hypothetical protein 0.0067 0.2731 1
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0186 0.1436
Mycobacterium ulcerans esterase/lipase LipP 0.0032 0.0948 0.5764
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0186 0.1436
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0033 0.0991 0.765
Loa Loa (eye worm) hypothetical protein 0.0032 0.0948 0.4735
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0053 0.2001 0.7329
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0186 0.0681
Mycobacterium tuberculosis Conserved protein 0.0032 0.0948 0.0948
Leishmania major hypothetical protein, conserved 0.0032 0.0948 0.3426
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0186 0.0296
Mycobacterium tuberculosis Probable hydrolase 0.0032 0.0948 0.0948
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0032 0.0948 0.0948
Echinococcus granulosus Peptidase C19 ubiquitin carboxyl terminal hydrolase 2 0.0039 0.1296 0.2061
Mycobacterium tuberculosis Probable lipase LipD 0.0032 0.0948 0.0948
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0018 0.0186 0.1436
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0053 0.2001 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Schistosoma mansoni hypothetical protein 0.0136 0.6287 1
Loa Loa (eye worm) latrophilin receptor protein 2 0.0017 0.0133 0.0664
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0948 0.1507
Mycobacterium tuberculosis Conserved protein 0.0032 0.0948 0.0948
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Trypanosoma cruzi cysteine peptidase, putative 0.0068 0.2766 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0032 0.0948 0.1507
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0067 0.2731 0.4344
Leishmania major cathepsin L-like protease 0.0018 0.0186 0.0673
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0046 0.1644 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Mycobacterium tuberculosis Probable lipase LipE 0.0032 0.0948 0.0948
Mycobacterium tuberculosis Conserved protein 0.0032 0.0948 0.0948
Leishmania major cathepsin L-like protease 0.0018 0.0186 0.0673
Trichomonas vaginalis D-aminoacylase, putative 0.0032 0.0948 0.7315
Loa Loa (eye worm) hypothetical protein 0.0032 0.0948 0.4735
Onchocerca volvulus 0.0032 0.0948 1
Trypanosoma cruzi cysteine peptidase, clan CA, family C1, cathepsin L-like, putative 0.0062 0.2462 0.8903
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Brugia malayi Cathepsin L-like precursor 0.0018 0.0186 0.0681
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0186 0.1436
Entamoeba histolytica hypothetical protein 0.0067 0.2731 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Trypanosoma cruzi hypothetical protein, conserved 0.0032 0.0948 0.3426
Entamoeba histolytica cysteine proteinase, putative 0.0018 0.0186 0.0681
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Echinococcus granulosus inositol monophosphatase 1 0.0033 0.0991 0.1577
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0067 0.2731 0.4344
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0186 0.1436
Brugia malayi hypothetical protein 0.0067 0.2731 1
Echinococcus granulosus cathepsin l cysteine peptidase 0.0018 0.0186 0.0296
Echinococcus multilocularis Peptidase C19, ubiquitin carboxyl terminal hydrolase 2 0.0039 0.1296 0.2061
Entamoeba histolytica ubiquitin carboxyl-terminal hydrolase domain containing protein 0.0039 0.1296 0.4744
Loa Loa (eye worm) hypothetical protein 0.0017 0.0133 0.0664
Loa Loa (eye worm) beta-lactamase 0.0032 0.0948 0.4735
Leishmania major cathepsin L-like protease 0.0068 0.2766 1
Echinococcus multilocularis inositol monophosphatase 1 0.0033 0.0991 0.1577
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0018 0.0186 0.093
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0186 0.1436
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Leishmania major cathepsin L-like protease 0.0018 0.0186 0.0673
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0186 0.1436
Leishmania major cathepsin L-like protease 0.0018 0.0186 0.0673
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0046 0.1644 0.1644
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0018 0.0186 0.1436
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0033 0.0991 0.6029
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0032 0.0948 0.347
Echinococcus granulosus geminin 0.0136 0.6287 1
Brugia malayi Cathepsin L-like precursor 0.0018 0.0186 0.0681
Brugia malayi latrophilin 2 splice variant baaae 0.0036 0.1137 0.4162
Echinococcus granulosus cathepsin l1 0.0018 0.0186 0.0296
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0018 0.0186 0.1436
Trypanosoma cruzi cysteine peptidase, putative 0.0018 0.0186 0.0673
Mycobacterium ulcerans lipase LipD 0.0032 0.0948 0.5764
Echinococcus multilocularis beta LACTamase domain containing family member 0.0032 0.0948 0.1507
Echinococcus multilocularis ubiquitin specific protease 41 0.0039 0.1296 0.2061
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0033 0.0991 0.5
Mycobacterium tuberculosis Probable esterase LipL 0.0032 0.0948 0.0948
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0017 0.0133 0.0211
Trypanosoma cruzi cruzipain precursor, putative 0.0068 0.2766 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Trypanosoma cruzi major cysteine proteinase, putative 0.0053 0.2017 0.7293
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0068 0.2766 1
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0046 0.1644 0.2615
Mycobacterium leprae conserved hypothetical protein 0.0032 0.0948 1
Loa Loa (eye worm) hypothetical protein 0.0053 0.2001 1
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0017 0.0133 0.0211
Echinococcus granulosus cathepsin L cysteine proteinase 0.0018 0.0186 0.0296
Brugia malayi beta-lactamase 0.0032 0.0948 0.347
Brugia malayi beta-lactamase family protein 0.0032 0.0948 0.347
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0018 0.0186 0.0296
Brugia malayi beta-lactamase family protein 0.0032 0.0948 0.347
Schistosoma mansoni transcription factor LCR-F1 0.0067 0.2731 0.4344
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0033 0.0991 0.3629
Trichomonas vaginalis conserved hypothetical protein 0.0039 0.1296 1
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0033 0.0991 0.3583
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0032 0.0948 0.1507
Trypanosoma brucei ubiquitin carboxyl-terminal hydrolase, putative 0.0039 0.1296 0.4684

Activities

No activities found for this compound.

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

No literature references available for this target.

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