Detailed information for compound 728599

Basic information

Technical information
  • TDR Targets ID: 728599
  • Name: CBKinase1_022201
  • MW: 402.494 | Formula: C17H18N6O2S2
  • H donors: 0 H acceptors: 5 LogP: 3.71 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCOC(=O)CSc1nnc2n1c1sc3c(c1c1n2ncn1)CCC(C3)C
  • InChi: 1S/C17H18N6O2S2/c1-3-25-12(24)7-26-17-21-20-16-22(17)15-13(14-18-8-19-23(14)16)10-5-4-9(2)6-11(10)27-15/h8-9H,3-7H2,1-2H3
  • InChiKey: SOMSVKFJQFQRLT-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • CBKinase1_009801

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
Leishmania major trypanothione reductase 0.0046 0.1092 0.4495
Schistosoma mansoni hypothetical protein 0.0353 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0719 0.0715
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2418 0.2415
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0227 0.0919
Trypanosoma cruzi Glucose-6-phosphate dehydrogenase, putative 0.0029 0.0622 0.2555
Echinococcus multilocularis histone lysine N methyltransferase MLL3 0.0009 0.0024 0.002
Schistosoma mansoni hypothetical protein 0.0353 1 1
Schistosoma mansoni hypothetical protein 0.0033 0.0719 0.0715
Entamoeba histolytica hypothetical protein 0.0038 0.0871 0.4088
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.0104 0.2788 0.8837
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0033 0.0719 0.0715
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0089 0.2338 0.8676
Trypanosoma brucei dihydrolipoamide dehydrogenase, point mutation 0.0016 0.0227 0.0919
Loa Loa (eye worm) CXXC zinc finger family protein 0.0029 0.0596 0.0696
Trichomonas vaginalis bromodomain-containing protein, putative 0.0089 0.2338 0.8787
Schistosoma mansoni dihydrolipoamide dehydrogenase 0.0016 0.0227 0.0222
Loa Loa (eye worm) thioredoxin reductase 0.0046 0.1092 0.1279
Schistosoma mansoni cpg binding protein 0.0029 0.0596 0.0592
Echinococcus multilocularis muscleblind protein 0.0149 0.4078 0.4075
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.0116 0.3125 1
Brugia malayi glutathione reductase 0.0046 0.1092 0.1279
Brugia malayi glucose-6-phosphate dehydrogenase 0.0092 0.2424 0.2845
Mycobacterium tuberculosis Probable reductase 0.0104 0.2788 0.8837
Brugia malayi Calcitonin receptor-like protein seb-1 0.0104 0.2774 0.3257
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0033 0.0719 0.0715
Loa Loa (eye worm) hypothetical protein 0.0149 0.4078 0.4791
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0227 0.0919
Chlamydia trachomatis glucose-6-phosphate 1-dehydrogenase 0.0092 0.2424 1
Echinococcus granulosus histone lysine N methyltransferase MLL3 0.0009 0.0024 0.002
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2418 0.2415
Trichomonas vaginalis mercuric reductase, putative 0.0016 0.0227 0.0837
Echinococcus granulosus dihydrolipoamide dehydrogenase 0.0016 0.0227 0.0222
Entamoeba histolytica hypothetical protein 0.0038 0.0871 0.4088
Loa Loa (eye worm) histone methyltransferase 0.0009 0.0024 0.0023
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0038 0.0871 0.0867
Mycobacterium ulcerans flavoprotein disulfide reductase 0.0016 0.0227 0.0919
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0227 0.0919
Mycobacterium tuberculosis Probable dehydrogenase 0.0104 0.2788 0.8837
Loa Loa (eye worm) hypothetical protein 0.0104 0.2774 0.3257
Schistosoma mansoni bromodomain containing protein 0.0009 0.0029 0.0025
Plasmodium vivax dihydrolipoyl dehydrogenase, mitochondrial, putative 0.0016 0.0227 0.0852
Trypanosoma cruzi trypanothione reductase, putative 0.0046 0.1092 0.4495
Echinococcus multilocularis geminin 0.0353 1 1
Echinococcus granulosus histone acetyltransferase KAT2B 0.0089 0.2338 0.2335
Loa Loa (eye worm) latrophilin receptor protein 2 0.0033 0.0719 0.084
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0046 0.1092 0.2985
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0033 0.0719 0.084
Mycobacterium tuberculosis Probable short-chain type dehydrogenase/reductase 0.0056 0.138 0.3979
Brugia malayi 3-hydroxyacyl-CoA dehydrogenase type II 0.0056 0.138 0.1618
Loa Loa (eye worm) hypothetical protein 0.0033 0.0719 0.084
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0089 0.2338 0.8787
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.138 0.5686
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.0116 0.3125 1
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0227 0.5
Echinococcus granulosus zinc finger protein 0.0009 0.0029 0.0025
Giardia lamblia NADH oxidase lateral transfer candidate 0.0016 0.0227 0.0837
Mycobacterium ulcerans dihydrolipoamide dehydrogenase 0.0016 0.0227 0.0919
Schistosoma mansoni mixed-lineage leukemia protein mll 0.0061 0.1525 0.1522
Mycobacterium tuberculosis Probable oxidoreductase 0.0116 0.3125 1
Echinococcus multilocularis muscleblind protein 1 0.0149 0.4078 0.4075
Schistosoma mansoni hypothetical protein 0.0071 0.1823 0.1819
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.0092 0.2424 1
Onchocerca volvulus 0.0029 0.0596 0.5
Treponema pallidum NADH oxidase 0.0016 0.0227 0.0919
Giardia lamblia Glucose-6-phosphate 1-dehydrogenase 0.01 0.266 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.0046 0.1092 0.1088
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0033 0.0719 0.0715
Toxoplasma gondii histone lysine methyltransferase SET1 0.0062 0.1552 0.5446
Trypanosoma brucei glucose-6-phosphate 1-dehydrogenase 0.0092 0.2424 1
Mycobacterium tuberculosis Probable glucose-6-phosphate 1-dehydrogenase Zwf2 (G6PD) 0.0032 0.0689 0.1596
Schistosoma mansoni hypothetical protein 0.0033 0.0719 0.0715
Echinococcus granulosus muscleblind protein 0.0149 0.4078 0.4075
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0091 0.2418 0.2415
Brugia malayi Thioredoxin reductase 0.0046 0.1092 0.1279
Schistosoma mansoni hypothetical protein 0.0033 0.0719 0.0715
Brugia malayi Bromodomain containing protein 0.0009 0.0029 0.0029
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0302 0.8508 0.8507
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0009 0.0029 0.0025
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0227 0.0919
Plasmodium falciparum glutathione reductase 0.0046 0.1092 0.3555
Trichomonas vaginalis 6-phosphogluconolactonase, putative 0.01 0.266 1
Schistosoma mansoni bromodomain containing protein 0.0009 0.0029 0.0025
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.01 0.266 1
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0089 0.2338 0.8789
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0227 0.0919
Leishmania major 3-oxoacyl-(acyl-carrier protein) reductase, putative 0.0056 0.138 0.5686
Echinococcus multilocularis zinc finger protein 0.0009 0.0029 0.0025
Trypanosoma cruzi trypanothione reductase, putative 0.0016 0.0227 0.0919
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0008 0.0013 0.0033
Leishmania major acetoin dehydrogenase e3 component-like protein 0.0016 0.0227 0.0919
Loa Loa (eye worm) glutathione reductase 0.0046 0.1092 0.1279
Leishmania major dihydrolipoamide dehydrogenase, putative 0.0016 0.0227 0.0919
Brugia malayi acetyltransferase, GNAT family protein 0.0302 0.8508 1
Trypanosoma brucei trypanothione reductase 0.0046 0.1092 0.4495
Brugia malayi PHD-finger family protein 0.0009 0.0029 0.0029
Schistosoma mansoni glucose-6-phosphate 1-dehydrogenase 0.0092 0.2424 0.242
Schistosoma mansoni cpg binding protein 0.003 0.0644 0.064
Loa Loa (eye worm) glucose-6-phosphate dehydrogenase 0.0092 0.2424 0.2845
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0227 0.0919
Echinococcus multilocularis GPCR, family 2 0.0033 0.0719 0.0715
Plasmodium falciparum thioredoxin reductase 0.0046 0.1092 0.3555
Plasmodium vivax dihydrolipoyl dehydrogenase, apicoplast, putative 0.0016 0.0227 0.0852
Echinococcus granulosus GPCR family 2 0.0033 0.0719 0.0715
Echinococcus multilocularis glucose 6 phosphate 1 dehydrogenase 0.0092 0.2424 0.242
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.0116 0.3125 1
Brugia malayi Latrophilin receptor protein 2 0.0033 0.0719 0.084
Plasmodium falciparum glucose-6-phosphate dehydrogenase-6-phosphogluconolactonase 0.01 0.266 1
Brugia malayi alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase 0.0012 0.0105 0.0118
Leishmania major 2-oxoglutarate dehydrogenase, e3 component, lipoamidedehydrogenase-like protein 0.0016 0.0227 0.0919
Trypanosoma brucei dihydrolipoamide dehydrogenase 0.0016 0.0227 0.0919
Brugia malayi F/Y-rich N-terminus family protein 0.0009 0.0021 0.002
Plasmodium vivax glutathione reductase, putative 0.0046 0.1092 0.4104
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2418 0.2415
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0009 0.0029 0.0025
Schistosoma mansoni 3-hydroxyacyl-CoA dehydrogenase 0.0056 0.138 0.1376
Schistosoma mansoni transcription factor LCR-F1 0.0038 0.0871 0.0867
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.0104 0.2788 0.8837
Giardia lamblia Histone acetyltransferase GCN5 0.0081 0.2124 0.798
Brugia malayi hypothetical protein 0.0038 0.0871 0.1019
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.0104 0.2788 0.892
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2418 0.2415
Leishmania major glucose-6-phosphate 1-dehydrogenase, putative 0.0092 0.2424 1
Brugia malayi CXXC zinc finger family protein 0.0029 0.0596 0.0696
Loa Loa (eye worm) acetyltransferase 0.0302 0.8508 1
Echinococcus granulosus thioredoxin glutathione reductase 0.0046 0.1092 0.1088
Trichomonas vaginalis glucosamine-6-phosphate isomerase, putative 0.01 0.266 1
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.006 0.1502 0.5243
Echinococcus multilocularis cpg binding protein 0.003 0.0644 0.064
Schistosoma mansoni zinc finger protein 0.0009 0.0029 0.0025
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.0104 0.2788 0.8837
Mycobacterium ulcerans short-chain type dehydrogenase/reductase 0.0056 0.138 0.5686
Loa Loa (eye worm) hypothetical protein 0.0009 0.0029 0.0029
Plasmodium vivax glucose-6-phosphate 1-dehydrogenase, putative 0.01 0.266 1
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0104 0.2774 0.3257
Echinococcus granulosus cpg binding protein 0.003 0.0644 0.064
Treponema pallidum glucose-6-phosphate 1-dehydrogenase 0.0092 0.2424 1
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.006 0.1502 0.6192
Trichomonas vaginalis histone acetyltransferase gcn5, putative 0.0008 0.0013 0.0033
Echinococcus granulosus histone acetyltransferase KAT2B 0.0293 0.8262 0.8262
Chlamydia trachomatis dihydrolipoyl dehydrogenase 0.0016 0.0227 0.0919
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0227 0.0919
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0302 0.8508 0.8507
Echinococcus multilocularis 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.138 0.1376
Echinococcus granulosus 3 hydroxyacyl coenzyme A dehydrogenase type 2 0.0056 0.138 0.1376
Brugia malayi dihydrolipoyl dehydrogenase, mitochondrial precursor, putative 0.0016 0.0227 0.0261
Wolbachia endosymbiont of Brugia malayi dihydrolipoamide dehydrogenase E3 component 0.0016 0.0227 0.5
Loa Loa (eye worm) hypothetical protein 0.0071 0.1823 0.2138
Mycobacterium ulcerans glucose-6-phosphate 1-dehydrogenase 0.0092 0.2424 1
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0091 0.2418 0.2415
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0227 0.0919
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0089 0.2338 0.8676
Plasmodium falciparum histone acetyltransferase GCN5 0.0081 0.2124 0.7796
Echinococcus multilocularis dihydrolipoamide dehydrogenase 0.0016 0.0227 0.0222
Entamoeba histolytica hypothetical protein 0.0038 0.0871 0.4088
Brugia malayi Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein 0.0012 0.0105 0.0118
Toxoplasma gondii glucose-6-phosphate 1-dehydrogenase 0.01 0.266 1
Trichomonas vaginalis glutathione reductase, putative 0.0016 0.0227 0.0837
Loa Loa (eye worm) hypothetical protein 0.0149 0.4078 0.4791
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0091 0.2418 0.2839
Loa Loa (eye worm) hypothetical protein 0.0009 0.0029 0.0029
Entamoeba histolytica hypothetical protein 0.0038 0.0871 0.4088
Entamoeba histolytica acetyltransferase, GNAT family 0.0081 0.2124 1
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0038 0.0871 0.0867
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0104 0.2774 0.3257
Plasmodium vivax thioredoxin reductase, putative 0.0046 0.1092 0.4104
Schistosoma mansoni cpg binding protein 0.003 0.0644 0.064
Mycobacterium tuberculosis Putative ferredoxin reductase 0.0104 0.2788 0.8837
Schistosoma mansoni hypothetical protein 0.0038 0.0871 0.0867
Loa Loa (eye worm) 3-hydroxyacyl-CoA dehydrogenase type II 0.0052 0.1271 0.149
Trypanosoma cruzi dihydrolipoamide dehydrogenase, putative 0.0016 0.0227 0.0919
Brugia malayi latrophilin 2 splice variant baaae 0.0071 0.1823 0.2138
Toxoplasma gondii thioredoxin reductase 0.0046 0.1092 0.3555
Trypanosoma cruzi glucose-6-phosphate 1-dehydrogenase, putative 0.003 0.0648 0.266
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0091 0.2418 0.2839
Echinococcus granulosus glucose 6 phosphate 1 dehydrogenase 0.0092 0.2424 0.242
Trypanosoma brucei dihydrolipoyl dehydrogenase 0.0016 0.0227 0.0919
Brugia malayi Muscleblind-like protein 0.0149 0.4078 0.4791
Mycobacterium ulcerans dihydrolipoamide dehydrogenase, LpdB 0.0016 0.0227 0.0919
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0033 0.0719 0.0715
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0091 0.2418 0.2415
Trypanosoma cruzi dihydrolipoyl dehydrogenase, putative 0.0016 0.0227 0.0919

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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