Detailed information for compound 1075844

Basic information

Technical information
  • TDR Targets ID: 1075844
  • Name: 3-cyclopentyl-2-[4-(2-hydroxyethyl-methylsulf amoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4- b]pyridin-2-yl)propanamide
  • MW: 518.649 | Formula: C24H30N4O5S2
  • H donors: 2 H acceptors: 6 LogP: 4.11 Rotable bonds: 11
    Rule of 5 violations (Lipinski): 2
  • SMILES: OCCN(S(=O)(=O)c1ccc(cc1)C(C(=O)Nc1nc2c(s1)nc(cc2)OC)CC1CCCC1)C
  • InChi: 1S/C24H30N4O5S2/c1-28(13-14-29)35(31,32)18-9-7-17(8-10-18)19(15-16-5-3-4-6-16)22(30)27-24-25-20-11-12-21(33-2)26-23(20)34-24/h7-12,16,19,29H,3-6,13-15H2,1-2H3,(H,25,27,30)
  • InChiKey: ZUWZPKWHGCQWQZ-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • 3-cyclopentyl-2-[4-(2-hydroxyethyl-methyl-sulfamoyl)phenyl]-N-(5-methoxythiazolo[5,4-b]pyridin-2-yl)propanamide
  • 3-cyclopentyl-2-[4-(2-hydroxyethyl-methylsulfamoyl)phenyl]-N-(5-methoxy-2-thiazolo[5,4-b]pyridinyl)propanamide
  • 3-cyclopentyl-2-[4-(2-hydroxyethyl-methyl-sulfamoyl)phenyl]-N-(5-methoxythiazolo[5,4-b]pyridin-2-yl)propionamide
  • 3-cyclopentyl-2-[4-(2-hydroxyethyl-methyl-sulfamoyl)phenyl]-N-(5-methoxy-[1,3]thiazolo[5,4-b]pyridin-2-yl)propanamide

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology
No druggable targets predicted by orthology data
By sequence similarity to non orthologous known druggable targets
No druggable targets predicted by sequence similarity
Obtained from network model

Ranking Plot

Putative Targets List

Species Potential target Raw Global Species
Loa Loa (eye worm) glutathione reductase 0.0052 0.2946 0.3869
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.1086 0.141
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.1086 0.141
Giardia lamblia DINP protein human, muc B family 0.0022 0.1086 1
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.084 0.1085
Trypanosoma brucei unspecified product 0.0022 0.1086 0.141
Trypanosoma brucei unspecified product 0.0015 0.0663 0.0851
Schistosoma mansoni glutamate synthase 0.0005 0.0019 0.0019
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0161 0.0187
Plasmodium vivax ubiquitin-conjugating enzyme E2 N, putative 0.0128 0.7581 1
Trypanosoma brucei unspecified product 0.0015 0.0663 0.0851
Plasmodium falciparum thioredoxin reductase 0.0018 0.084 0.1085
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0013 0.0543 0.0693
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.084 1
Plasmodium vivax thioredoxin reductase, putative 0.0052 0.2946 0.3869
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0128 0.7581 1
Loa Loa (eye worm) hypothetical protein 0.0007 0.0146 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0161 0.0187
Echinococcus multilocularis mixed lineage leukemia protein mll 0.0008 0.0203 0.0242
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.1086 1
Plasmodium falciparum glutathione reductase 0.0052 0.2946 0.3869
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0018 0.084 0.1085
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0146 0.0167
Brugia malayi F/Y-rich N-terminus family protein 0.001 0.0313 0.0388
Mycobacterium tuberculosis Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot 0.0018 0.084 0.1042
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0008 0.0203 0.0203
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0161 0.0187
Echinococcus granulosus thioredoxin glutathione reductase 0.0052 0.2946 0.3869
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0018 0.084 0.1085
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0161 0.0187
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0067 0.3819 0.3819
Loa Loa (eye worm) hypothetical protein 0.0022 0.1086 0.141
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.084 0.1085
Echinococcus multilocularis thioredoxin glutathione reductase 0.0052 0.2946 0.3869
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0146 0.0167
Schistosoma mansoni hypothetical protein 0.0005 0.0019 0.0019
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0019 0.0019
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Leishmania major ubiquitin-conjugating enzyme e2, putative 0.0128 0.7581 1
Echinococcus granulosus dna polymerase eta 0.0022 0.1086 0.141
Leishmania major DNA polymerase kappa, putative,DNA polymerase IV, putative 0.0022 0.1086 0.141
Entamoeba histolytica deoxycytidyl transferase, putative 0.0022 0.1086 0.141
Treponema pallidum NADH oxidase 0.0018 0.084 1
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0018 0.084 0.1085
Trichomonas vaginalis DNA polymerase IV / kappa, putative 0.0022 0.1086 0.141
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0018 0.084 0.1085
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0018 0.084 1
Trypanosoma cruzi DNA polymerase eta, putative 0.0022 0.1086 0.141
Mycobacterium ulcerans DNA polymerase IV 0.0022 0.1086 1
Leishmania major DNA polymerase eta, putative 0.0022 0.1086 0.141
Echinococcus granulosus terminal deoxycytidyl transferase rev1 0.0022 0.1086 0.141
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0146 0.0167
Trypanosoma cruzi DNA damage repair protein, putative 0.0007 0.0146 0.0167
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0018 0.084 0.1085
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0018 0.084 0.1085
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.084 0.1085
Schistosoma mansoni cpg binding protein 0.0033 0.1764 0.1764
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0161 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0018 0.084 0.7692
Echinococcus granulosus mixed lineage leukemia protein mll 0.0008 0.0203 0.0242
Plasmodium falciparum dihydrolipoyl dehydrogenase, apicoplast 0.0018 0.084 0.1085
Leishmania major DNA polymerase kappa, putative 0.0022 0.1086 0.141
Giardia lamblia NADH oxidase lateral transfer candidate 0.0018 0.084 0.7692
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Toxoplasma gondii thioredoxin reductase 0.0052 0.2946 0.3869
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0018 0.084 0.7692
Mycobacterium tuberculosis Putative ferredoxin reductase 0.012 0.7074 0.8958
Schistosoma mansoni terminal deoxycytidyl transferase 0.0022 0.1086 0.1086
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0128 0.7581 1
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0133 0.7894 1
Loa Loa (eye worm) thioredoxin reductase 0.0052 0.2946 0.3869
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0161 0.0187
Schistosoma mansoni DNA polymerase eta 0.0022 0.1086 0.1086
Leishmania major DNA polymerase eta, putative 0.0007 0.0146 0.0167
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.012 0.7074 0.8958
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Echinococcus multilocularis ubiquitin conjugating enzyme E2 N 0.0128 0.7581 1
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.1086 0.141
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0663 0.0851
Brugia malayi Thioredoxin reductase 0.0052 0.2946 0.3869
Trypanosoma brucei DNA polymerase eta, putative 0.0022 0.1086 0.141
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.084 0.1085
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0013 0.0543 0.0693
Trypanosoma brucei DNA polymerase kappa, putative 0.0007 0.0146 0.0167
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0161 0.0187
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0161 0.0187
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0008 0.0203 0.0242
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0161 0.0187
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.1086 0.141
Schistosoma mansoni DNA polymerase IV / kappa 0.0007 0.0146 0.0146
Trypanosoma cruzi ubiquitin-conjugating enzyme E2, putative 0.0128 0.7581 1
Loa Loa (eye worm) ImpB/MucB/SamB family protein 0.0022 0.1086 0.141
Entamoeba histolytica ubiquitin-conjugating enzyme family protein 0.0128 0.7581 1
Schistosoma mansoni disulfide oxidoreductase 0.0005 0.0019 0.0019
Plasmodium vivax DNA repair protein REV1, putative 0.0007 0.0146 0.0167
Toxoplasma gondii BRCA1 C Terminus (BRCT) domain-containing protein 0.0007 0.0146 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0663 0.0851
Trypanosoma brucei DNA polymerase IV, putative 0.0022 0.1086 0.141
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.012 0.7074 0.8958
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0128 0.7581 1
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.1086 0.141
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.084 0.1085
Plasmodium falciparum glutathione reductase 0.0018 0.084 0.1085
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Leishmania major DNA damage repair protein, putative 0.0007 0.0146 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Brugia malayi ubiquitin conjugating enzyme protein 13 0.0128 0.7581 1
Schistosoma mansoni cpg binding protein 0.0033 0.1764 0.1764
Trypanosoma brucei trypanothione reductase 0.0052 0.2946 0.3869
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Onchocerca volvulus 0.0031 0.1654 1
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.084 0.1085
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0146 0.0167
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0018 0.084 0.1085
Plasmodium falciparum dihydrolipoyl dehydrogenase, mitochondrial 0.0018 0.084 0.1085
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.012 0.7074 0.8958
Plasmodium falciparum DNA repair protein REV1, putative 0.0007 0.0146 0.0167
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.012 0.7074 0.8958
Schistosoma mansoni glutamate synthase 0.0005 0.0019 0.0019
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0133 0.7894 1
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0018 0.084 0.1085
Toxoplasma gondii ubiquitin-conjugating enzyme subfamily protein 0.0128 0.7581 1
Plasmodium falciparum ubiquitin-conjugating enzyme E2 N, putative 0.0128 0.7581 1
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.1086 0.141
Trypanosoma cruzi trypanothione reductase, putative 0.0018 0.084 0.1085
Echinococcus granulosus cpg binding protein 0.0033 0.1764 0.2307
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0018 0.084 0.1085
Echinococcus multilocularis dna polymerase eta 0.0022 0.1086 0.141
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0018 0.084 0.1085
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.084 0.1085
Schistosoma mansoni cpg binding protein 0.0031 0.1654 0.1654
Trypanosoma cruzi trypanothione reductase, putative 0.0052 0.2946 0.3869
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0146 0.0167
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0146 0.0167
Echinococcus granulosus ubiquitin conjugating enzyme E2 N 0.0128 0.7581 1
Giardia lamblia DNA damage repair protein 0.0007 0.0146 0.1187
Trichomonas vaginalis mercuric reductase, putative 0.0018 0.084 0.1085
Trichomonas vaginalis helicase, putative 0.0007 0.0161 0.0187
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0161 0.0187
Toxoplasma gondii pyruvate dehydrogenase complex subunit PDH-E3II 0.0018 0.084 0.1085
Brugia malayi CXXC zinc finger family protein 0.0031 0.1654 0.2161
Loa Loa (eye worm) histone methyltransferase 0.001 0.032 0.0398
Trypanosoma cruzi DNA polymerase kappa, putative 0.0022 0.1086 0.141
Echinococcus multilocularis terminal deoxycytidyl transferase rev1 0.0022 0.1086 0.141
Trypanosoma brucei hypothetical protein, conserved 0.0007 0.0146 0.0167
Leishmania major DNA polymerase kappa, putative 0.0007 0.0146 0.0167
Mycobacterium tuberculosis Probable oxidoreductase 0.0133 0.7894 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.001 0.032 0.0398
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0161 0.0187
Toxoplasma gondii NADPH-glutathione reductase 0.0018 0.084 0.1085
Loa Loa (eye worm) ubiquitin conjugating enzyme protein 13 0.0128 0.7581 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0018 0.084 1
Mycobacterium tuberculosis Conserved hypothetical protein 0.0022 0.1086 0.1354
Leishmania major trypanothione reductase 0.0052 0.2946 0.3869
Trypanosoma cruzi hypothetical protein, conserved 0.0007 0.0146 0.0167
Mycobacterium tuberculosis Probable reductase 0.012 0.7074 0.8958
Trypanosoma brucei DNA polymerase kappa, putative 0.0015 0.0663 0.0851
Mycobacterium tuberculosis Probable dehydrogenase 0.012 0.7074 0.8958
Schistosoma mansoni rab geranylgeranyl transferase alpha subunit 0.0022 0.1086 0.1086
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0161 0.0187
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0133 0.7894 1
Plasmodium vivax glutathione reductase, putative 0.0052 0.2946 0.3869
Trichomonas vaginalis ubiquitin-conjugating enzyme E2, putative 0.0128 0.7581 1
Plasmodium falciparum thioredoxin reductase 0.0052 0.2946 0.3869
Loa Loa (eye worm) CXXC zinc finger family protein 0.0031 0.1654 0.2161
Toxoplasma gondii ImpB/MucB/SamB family protein 0.0007 0.0146 0.0167
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.084 0.1085
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0161 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Schistosoma mansoni sulfide quinone reductase 0.0005 0.0019 0.0019
Trichomonas vaginalis glutathione reductase, putative 0.0018 0.084 0.1085
Brugia malayi polk-prov protein 0.0007 0.0146 0.0167
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0018 0.084 0.1085
Echinococcus multilocularis cpg binding protein 0.0033 0.1764 0.2307
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.001 0.032 0.0398
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0008 0.0203 0.0242
Trichomonas vaginalis DNA polymerase eta, putative 0.0022 0.1086 0.141
Trypanosoma brucei ubiquitin-protein ligase, putative 0.0128 0.7581 1
Brugia malayi glutathione reductase 0.0052 0.2946 0.3869
Trypanosoma brucei DNA damage repair protein, putative 0.0007 0.0146 0.0167
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0018 0.084 0.7692
Mycobacterium tuberculosis Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed)) 0.0022 0.1086 0.1354
Echinococcus granulosus dna polymerase kappa 0.0022 0.1086 0.141
Schistosoma mansoni glutamate synthase 0.0005 0.0019 0.0019
Echinococcus multilocularis dna polymerase kappa 0.0022 0.1086 0.141
Brugia malayi ImpB/MucB/SamB family protein 0.0022 0.1086 0.141
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0052 0.2946 0.3716
Trichomonas vaginalis conserved hypothetical protein 0.0007 0.0161 0.0187
Trypanosoma brucei chrX additional, unordered contigs 0.0007 0.0146 0.0167
Brugia malayi Ubiquitin conjugating enzyme protein 13 0.0128 0.7581 1
Trichomonas vaginalis chromodomain-helicase-DNA-binding protein, putative 0.0007 0.0161 0.0187
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0161 0.0187
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0018 0.084 0.1085
Schistosoma mansoni ubiquitin conjugating enzyme 13 0.0128 0.7581 0.7581
Trypanosoma cruzi DNA polymerase eta, putative 0.0007 0.0146 0.0167
Trypanosoma brucei DNA polymerase kappa, putative 0.0022 0.1086 0.141
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0018 0.084 0.084
Mycobacterium ulcerans hypothetical protein 0.0007 0.0146 0.1187
Toxoplasma gondii histone lysine methyltransferase SET1 0.0059 0.3381 0.4445
Trichomonas vaginalis chromodomain helicase DNA binding protein, putative 0.0007 0.0161 0.0187
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0018 0.084 0.1085

Activities

Activity type Activity value Assay description Source Reference
Activity (binding) = 147 nM Activation of His-tagged human recombinant liver glucokinase expressed in Escherichia coli BL21 (DE3) assessed as drug level required for half-maximal activation ChEMBL. 19746978

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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