Detailed information for compound 1634436

Basic information

Technical information
  • TDR Targets ID: 1634436
  • Name: 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydrox ypentanoic acid
  • MW: 299.3 | Formula: C12H13NO6S
  • H donors: 5 H acceptors: 7 LogP: -0.73 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: OC(=O)C(C(C(C(c1nc2c(s1)cccc2)O)O)O)O
  • InChi: 1S/C12H13NO6S/c14-7(8(15)10(17)12(18)19)9(16)11-13-5-3-1-2-4-6(5)20-11/h1-4,7-10,14-17H,(H,18,19)
  • InChiKey: IHLGCRTYBDAHIA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxy-pentanoic acid
  • 5-(1,3-benzothiazol-2-yl)-2,3,4,5-tetrahydroxy-valeric acid
  • NCI60_004081
  • 5-C-(1,3-benzothiazol-2-yl)pentonic acid

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
Onchocerca volvulus 0.0163 0.0591 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Onchocerca volvulus Serine\/threonine kinase homolog 0.0102 0.0338 0.5675
Brugia malayi Cytochrome P450 family protein 0.0059 0.0158 0.2165
Schistosoma mansoni aryl hydrocarbon receptor 0.0059 0.0158 0.0158
Schistosoma mansoni kinase 0.0052 0.0129 0.0129
Loa Loa (eye worm) hypothetical protein 0.0163 0.0591 0.8083
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0045 0.0102 0.1671
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0065 0.0182 0.2489
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus multilocularis expressed protein 0.0403 0.1587 0.1587
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.0004 0.0004
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0074 0.0221 0.3018
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Brugia malayi Papain family cysteine protease containing protein 0.0022 0.0004 0.0059
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0049 0.0119 0.1628
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Loa Loa (eye worm) hypothetical protein 0.0022 0.0004 0.0059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Plasmodium vivax dipeptidyl aminopeptidase 3, putative 0.0854 0.3457 0.3745
Echinococcus granulosus cathepsin l cysteine peptidase 0.0022 0.0004 0.0004
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Loa Loa (eye worm) cytochrome P450 family protein 0.0059 0.0158 0.2165
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0021 0.0001 0.0008
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Leishmania major cysteine peptidase A (CPA) 0.0022 0.0004 0.011
Trypanosoma brucei DNA polymerase eta, putative 0.0048 0.0115 0.3389
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.0004 0.0004
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0102 0.0338 0.0338
Trypanosoma cruzi DNA polymerase eta, putative 0.0034 0.0055 0.1618
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus granulosus expressed protein 0.0403 0.1587 0.1587
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Brugia malayi serine/threonine-protein kinase plk-2 0.0102 0.0338 0.4612
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Mycobacterium ulcerans putative regulatory protein 0.0043 0.0094 0.4262
Entamoeba histolytica cysteine protease, putative 0.0022 0.0004 0.0127
Trichomonas vaginalis DNA polymerase eta, putative 0.0021 0.0001 0.0001
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0102 0.0338 0.0338
Loa Loa (eye worm) hypothetical protein 0.0048 0.0115 0.1568
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0226 0.0397
Giardia lamblia Encystation-specific protease 0.0854 0.3457 0.3747
Toxoplasma gondii preprocathepsin c precursor, putative 0.2244 0.9224 0.9224
Trichomonas vaginalis chromobox protein, putative 0.0075 0.0226 0.0397
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0102 0.018
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0119 0.0119
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Loa Loa (eye worm) Papain cysteine protease/cathepsin propeptide inhibitor-containing protein 0.0022 0.0004 0.0059
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Loa Loa (eye worm) hypoxia-induced factor 1 0.0182 0.0668 0.9134
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Brugia malayi chromobox protein homolog 3 0.0042 0.0089 0.1218
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Echinococcus multilocularis cysteine protease 0.0022 0.0004 0.0004
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.0221 1
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0021 0.0001 0.0001
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Toxoplasma gondii MAPEG family protein 0.2431 1 1
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus multilocularis chromobox protein 1 0.0075 0.0226 0.0226
Loa Loa (eye worm) ctsf protein 0.0022 0.0004 0.0059
Echinococcus multilocularis cathepsin l cysteine peptidase 0.0022 0.0004 0.0004
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0004 0.0127
Plasmodium vivax dipeptidyl aminopeptidase 1, putative 0.2244 0.9224 1
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Echinococcus granulosus dna polymerase kappa 0.0021 0.0001 0.0001
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0049 0.0119 0.0119
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0004 0.011
Toxoplasma gondii cathepsin CPC1 0.2244 0.9224 0.9224
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0102 0.0338 1
Echinococcus multilocularis microsomal glutathione S transferase 3 0.2431 1 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0048 0.0115 0.3389
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Schistosoma mansoni dipeptidyl-peptidase I (C01 family) 0.2244 0.9224 0.9224
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0338 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Entamoeba histolytica serine/threonine protein kinase, putative 0.0102 0.0338 1
Brugia malayi hypothetical protein 0.0163 0.0591 0.8083
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0074 0.0221 0.0221
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0854 0.3457 0.3747
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0089 0.0156
Entamoeba histolytica deoxycytidyl transferase, putative 0.0021 0.0001 0.0017
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0038 0.0067
Onchocerca volvulus 0.0033 0.0051 0.0801
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0021 0.0001 0.0001
Brugia malayi hypothetical protein 0.0197 0.0732 1
Brugia malayi PAS domain containing protein 0.0059 0.0158 0.2156
Brugia malayi hypoxia-induced factor 1 0.0182 0.0668 0.9134
Leishmania major DNA polymerase eta, putative 0.0034 0.0055 0.1618
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus granulosus beta-adrenergic receptor kinase 0.0021 0.0001 0.0001
Echinococcus multilocularis dna polymerase kappa 0.0021 0.0001 0.0001
Brugia malayi Probable G protein-coupled receptor kinase F19C6.1, putative 0.0021 0.0001 0.0019
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Schistosoma mansoni chromobox protein 0.0075 0.0226 0.0226
Trichomonas vaginalis Clan CA, family C1, cathepsin B-like cysteine peptidase 0.1394 0.5698 1
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0074 0.0221 0.6537
Schistosoma mansoni microsomal glutathione s-transferase 0.2431 1 1
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0001 0.0001
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Schistosoma mansoni serine/threonine protein kinase 0.0102 0.0338 0.0338
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0004 0.0004
Echinococcus multilocularis transfer RNA-Lys 0.0043 0.0094 0.0094
Leishmania major DNA polymerase eta, putative 0.0048 0.0115 0.3389
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0001 0.0001
Echinococcus granulosus cathepsin L cysteine proteinase 0.0022 0.0004 0.0004
Loa Loa (eye worm) fibroinase 0.0022 0.0004 0.0059
Loa Loa (eye worm) AGC/GRK/GRK protein kinase 0.0021 0.0001 0.0019
Plasmodium falciparum dipeptidyl aminopeptidase 1 0.2244 0.9224 1
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0049 0.0119 0.1628
Brugia malayi bHLH-PAS transcription factor 0.0043 0.0094 0.1291
Echinococcus granulosus single minded 2 0.0043 0.0094 0.0094
Brugia malayi ImpB/MucB/SamB family protein 0.0021 0.0001 0.0008
Schistosoma mansoni serine/threonine protein kinase 0.0021 0.0001 0.0001
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Loa Loa (eye worm) papain family cysteine protease containing protein 0.0022 0.0004 0.0059
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Schistosoma mansoni cathepsin F (C01 family) 0.0022 0.0004 0.0004
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0221 0.0221
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0004 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0038 0.0067
Schistosoma mansoni DNA polymerase eta 0.0048 0.0115 0.0115
Echinococcus multilocularis cathepsin L cysteine protease 0.0022 0.0004 0.0004
Echinococcus multilocularis dna polymerase eta 0.0048 0.0115 0.0115
Trypanosoma brucei polo-like protein kinase 0.0102 0.0338 1
Loa Loa (eye worm) heterochromatin protein 1 0.0075 0.0226 0.3094
Echinococcus multilocularis cysteine protease 0.0022 0.0004 0.0004
Plasmodium falciparum dipeptidyl aminopeptidase 2 0.2244 0.9224 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0074 0.0221 1
Onchocerca volvulus 0.0043 0.0094 0.1536
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0074 0.0221 1
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0021 0.0001 0.0001
Trichomonas vaginalis chromobox protein, putative 0.0045 0.0102 0.018
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0004 0.011
Trypanosoma cruzi polo-like protein kinase, putative 0.0102 0.0338 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0119 0.0119
Plasmodium vivax dipeptidyl aminopeptidase 2, putative 0.2244 0.9224 1
Brugia malayi ImpB/MucB/SamB family protein 0.0048 0.0115 0.1568
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Giardia lamblia Dipeptidyl-peptidase I precursor 0.0854 0.3457 0.3747
Echinococcus granulosus dna polymerase eta 0.0048 0.0115 0.0115
Entamoeba histolytica cysteine proteinase, putative 0.0022 0.0004 0.0127
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus granulosus chromobox protein 1 0.0075 0.0226 0.0226
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0119 0.0119
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0119 0.0119
Schistosoma mansoni single-minded 0.0059 0.0158 0.0158
Brugia malayi Cathepsin L-like precursor 0.0022 0.0004 0.0059
Echinococcus granulosus chromobox protein 1 0.0075 0.0226 0.0226
Giardia lamblia Dipeptidyl-peptidase I precursor 0.2244 0.9224 1
Trichomonas vaginalis CAMK family protein kinase 0.0102 0.0338 0.0592
Loa Loa (eye worm) hypothetical protein 0.0197 0.0732 1
Trypanosoma cruzi cysteine peptidase, putative 0.0022 0.0004 0.011
Schistosoma mansoni membrane associated proteins in eicosanoid and glutathione metabolism family member 0.2431 1 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0049 0.0119 0.0119
Brugia malayi Heterochromatin protein 1 0.0075 0.0226 0.3094
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0021 0.0001 0.0001
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Schistosoma mansoni terminal deoxycytidyl transferase 0.0021 0.0001 0.0001
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0124 0.0217
Loa Loa (eye worm) hypothetical protein 0.0042 0.0089 0.1218
Trichomonas vaginalis CAMK family protein kinase 0.0051 0.0124 0.0217
Giardia lamblia Kinase, PLK 0.0102 0.0338 0.0365
Trichomonas vaginalis conserved hypothetical protein 0.0042 0.0089 0.0156
Trypanosoma cruzi cruzipain precursor, putative 0.0022 0.0004 0.011
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Loa Loa (eye worm) cysteine protease 0.0022 0.0004 0.0059
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Trichomonas vaginalis Clan CA, family C1, cathepsin L or K-like cysteine peptidase 0.0022 0.0004 0.0008
Loa Loa (eye worm) AGC/GRK/BARK protein kinase 0.0021 0.0001 0.0019
Echinococcus granulosus cathepsin l1 0.0022 0.0004 0.0004
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0034 0.0055 0.0051
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0074 0.0221 0.0221
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0049 0.0119 0.0119
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Echinococcus multilocularis chromobox protein 1 0.0075 0.0226 0.0226
Schistosoma mansoni chromobox protein 0.0075 0.0226 0.0226
Echinococcus multilocularis beta adrenergic receptor kinase 0.0021 0.0001 0.0001
Plasmodium falciparum dipeptidyl aminopeptidase 3 0.0854 0.3457 0.3745
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Loa Loa (eye worm) hypothetical protein 0.0033 0.0051 0.0701
Trichomonas vaginalis Clan CA, family C1, cathepsin L-like cysteine peptidase 0.0022 0.0004 0.0008
Leishmania major cathepsin L-like protease 0.0022 0.0004 0.011
Trichomonas vaginalis Clan CA, family C1, papain-like cysteine peptidase 0.0022 0.0004 0.0008
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0102 0.0338 0.4612
Onchocerca volvulus Heterochromatin protein 1 homolog 0.0042 0.0089 0.1445
Trypanosoma brucei cysteine peptidase, Clan CA, family C1, Cathepsin L-like 0.0022 0.0004 0.011
Toxoplasma gondii cathepsin CPC2 0.0854 0.3457 0.3454

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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