Detailed information for compound 1544362

Basic information

Technical information
  • TDR Targets ID: 1544362
  • Name: SR-01000642235-1
  • MW: 262.308 | Formula: C13H18N4O2
  • H donors: 3 H acceptors: 2 LogP: -0.87 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: NNC(=O)CC1NCCN(C1=O)Cc1ccccc1
  • InChi: 1S/C13H18N4O2/c14-16-12(18)8-11-13(19)17(7-6-15-11)9-10-4-2-1-3-5-10/h1-5,11,15H,6-9,14H2,(H,16,18)
  • InChiKey: XHKBWAHMUXCEGA-UHFFFAOYSA-N  


Substructure search Similarity search

Network

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Synonyms

  • DP 01702
  • Maybridge1_003582

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
Mycobacterium tuberculosis Probable aldehyde dehydrogenase 0.0068 0.1504 0.1794
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0048 0.084 0.243
Mycobacterium leprae conserved hypothetical protein 0.004 0.0598 0.1033
Loa Loa (eye worm) hypothetical protein 0.0033 0.0346 0.0372
Schistosoma mansoni serine/threonine protein kinase 0.0106 0.2742 0.2947
Echinococcus multilocularis mannose 6 phosphate isomerase 0.0109 0.2844 0.576
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0197 0.0212
Schistosoma mansoni jumonji/arid domain-containing protein 0.0105 0.2729 0.2933
Onchocerca volvulus 0.004 0.0598 0.2179
Echinococcus granulosus mannose 6 phosphate isomerase 0.0109 0.2844 0.576
Mycobacterium tuberculosis Conserved protein 0.004 0.0598 0.0596
Echinococcus granulosus arachidonate 5 lipoxygenase 0.0132 0.3604 0.7298
Schistosoma mansoni kinase 0.0054 0.1038 0.1115
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0346 0.0563
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.004 0.0598 0.0642
Toxoplasma gondii PHD-finger domain-containing protein 0.0033 0.0346 0.0563
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1504 0.1483
Entamoeba histolytica serine/threonine protein kinase, putative 0.0106 0.2742 0.2634
Trichomonas vaginalis bromodomain-containing protein, putative 0.0048 0.084 0.0677
Echinococcus granulosus citrate lyase subunit beta protein 0.0027 0.0175 0.0355
Onchocerca volvulus 0.004 0.0598 0.2179
Echinococcus multilocularis phd:f box containing protein 0.0028 0.0197 0.04
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0048 0.084 0.243
Loa Loa (eye worm) hypothetical protein 0.0027 0.0146 0.0157
Echinococcus multilocularis lysine specific demethylase 5A 0.0105 0.2729 0.5527
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0598 0.0611
Mycobacterium tuberculosis Probable conserved lipoprotein 0.004 0.0598 0.0596
Schistosoma mansoni ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related 0.0028 0.0197 0.0212
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0028 0.0197 0.0032
Onchocerca volvulus 0.004 0.0598 0.2179
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.016 0.4515 1
Loa Loa (eye worm) beta-lactamase 0.004 0.0598 0.0642
Plasmodium vivax hypothetical protein, conserved 0.004 0.0598 0.2101
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0598 0.043
Treponema pallidum fructose-bisphosphate aldolase 0.0327 1 0.5
Mycobacterium tuberculosis Probable mannose-6-phosphate isomerase ManA (phosphomannose isomerase) (phosphomannoisomerase) (PMI) (phosphohexoisomerase) (pho 0.0059 0.1211 0.1406
Trypanosoma cruzi phosphomannose isomerase, putative 0.0109 0.2844 0.3864
Echinococcus granulosus jumonji domain containing 1A 0.0028 0.0197 0.04
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1504 0.1617
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0327 1 1
Plasmodium vivax mannose-6-phosphate isomerase, putative 0.0109 0.2844 1
Echinococcus multilocularis citrate lyase subunit beta protein 0.0027 0.0175 0.0355
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0327 1 1
Brugia malayi serine/threonine-protein kinase plk-2 0.0106 0.2742 0.2947
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0109 0.2844 0.3056
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1504 0.1483
Brugia malayi jmjC domain containing protein 0.0105 0.2729 0.2933
Brugia malayi Cytochrome P450 family protein 0.0051 0.0936 0.1006
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2742 0.2613
Schistosoma mansoni mannose-6-phosphate isomerase 0.0109 0.2844 0.3056
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0992 0.0831
Mycobacterium ulcerans citrate lyase beta subunit, CitE_2 0.0027 0.0175 0.0032
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2742 0.2613
Echinococcus granulosus serine:threonine protein kinase PLK1 0.0106 0.2742 0.5554
Mycobacterium ulcerans mannose-6-phosphate isomerase ManA 0.0109 0.2844 0.2945
Giardia lamblia Fructose-bisphosphate aldolase 0.0327 1 1
Echinococcus granulosus lysine specific demethylase 5A 0.0105 0.2729 0.5527
Leishmania major hypothetical protein, conserved 0.0028 0.0197 0.0073
Echinococcus granulosus histone acetyltransferase KAT2B 0.0048 0.084 0.1702
Mycobacterium ulcerans aldehyde dehydrogenase 0.0068 0.1504 0.1483
Loa Loa (eye worm) hypothetical protein 0.004 0.0598 0.0642
Leishmania major hypothetical protein, conserved 0.0238 0.7082 1
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.004 0.0598 0.0642
Mycobacterium tuberculosis Conserved protein 0.004 0.0598 0.0596
Brugia malayi glutaminase DH11.1 0.0306 0.9306 1
Brugia malayi jmjC domain containing protein 0.0028 0.0197 0.0212
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0109 0.2844 0.3056
Loa Loa (eye worm) hypothetical protein 0.0027 0.0146 0.0157
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0598 0.043
Mycobacterium ulcerans hypothetical protein 0.0027 0.0175 0.0032
Plasmodium falciparum mannose-6-phosphate isomerase, putative 0.0109 0.2844 1
Loa Loa (eye worm) hypothetical protein 0.004 0.0598 0.0642
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0175 0.0032
Schistosoma mansoni hypothetical protein 0.0033 0.0346 0.0372
Echinococcus multilocularis Transcription factor, JmjC domain containing protein 0.0173 0.4938 1
Brugia malayi acetyltransferase, GNAT family protein 0.0162 0.4594 0.4937
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0146 0.0157
Trichomonas vaginalis glutaminase, putative 0.0306 0.9306 0.9294
Echinococcus multilocularis PHD finger protein rhinoceros 0.0033 0.0346 0.0701
Loa Loa (eye worm) jmjC domain-containing protein 0.0105 0.2729 0.2933
Toxoplasma gondii aldehyde dehydrogenase 0.0068 0.1504 0.4938
Echinococcus granulosus phd:f box containing protein 0.0028 0.0197 0.04
Mycobacterium ulcerans lipase LipD 0.004 0.0598 0.0493
Brugia malayi jmjC domain containing protein 0.0028 0.0197 0.0212
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2742 0.2613
Toxoplasma gondii ABC1 family protein 0.004 0.0598 0.1512
Loa Loa (eye worm) mannose-6-phosphate isomerase 0.0109 0.2844 0.3056
Mycobacterium tuberculosis Probable hydrolase 0.004 0.0598 0.0596
Echinococcus multilocularis jumonji domain containing 1A 0.0028 0.0197 0.04
Loa Loa (eye worm) cytochrome P450 family protein 0.0051 0.0936 0.1006
Schistosoma mansoni glutaminase 0.0306 0.9306 1
Loa Loa (eye worm) hypothetical protein 0.0027 0.0146 0.0157
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0327 1 1
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0146 0.0157
Echinococcus multilocularis serine:threonine protein kinase PLK1 0.0106 0.2742 0.5554
Brugia malayi Bromodomain containing protein 0.0037 0.0477 0.0512
Trichomonas vaginalis penicillin-binding protein, putative 0.004 0.0598 0.043
Schistosoma mansoni aldehyde dehydrogenase 0.0068 0.1504 0.1617
Mycobacterium ulcerans citrate (pro-3S)-lyase subunit beta 0.0027 0.0175 0.0032
Leishmania major phosphomannose isomerase 0.0109 0.2844 0.389
Onchocerca volvulus Serine\/threonine kinase homolog 0.0106 0.2742 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0327 1 1
Trypanosoma cruzi hypothetical protein, conserved 0.0238 0.7082 1
Leishmania major hypothetical protein, conserved 0.004 0.0598 0.065
Loa Loa (eye worm) hypothetical protein 0.004 0.0598 0.0642
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0327 1 1
Echinococcus multilocularis JmjC domain containing protein 4 0.0028 0.0197 0.04
Echinococcus multilocularis arachidonate 5 lipoxygenase 0.0132 0.3604 0.7298
Trypanosoma brucei hypothetical protein, conserved 0.0238 0.7082 1
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.004 0.0598 0.0596
Loa Loa (eye worm) hypothetical protein 0.004 0.0598 0.0642
Echinococcus multilocularis Jumonji, AT rich interactive domain 1B 0.0028 0.0197 0.04
Trypanosoma cruzi phosphomannose isomerase, putative 0.0109 0.2844 0.3864
Echinococcus granulosus jumonji domain containing protein 0.0045 0.0765 0.155
Loa Loa (eye worm) hypothetical protein 0.004 0.0598 0.0642
Mycobacterium ulcerans beta-lactamase 0.004 0.0598 0.0493
Mycobacterium tuberculosis Conserved protein 0.0027 0.0175 0.0038
Echinococcus multilocularis lysine specific demethylase 6a 0.0028 0.0197 0.04
Toxoplasma gondii phosphomannose isomerase type I protein 0.0109 0.2844 1
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.016 0.4515 0.4769
Echinococcus granulosus beta LACTamase domain containing family member 0.004 0.0598 0.121
Mycobacterium tuberculosis Probable lipase LipE 0.004 0.0598 0.0596
Echinococcus multilocularis jumonji domain containing protein 0.0045 0.0765 0.155
Loa Loa (eye worm) hypothetical protein 0.004 0.0598 0.0642
Trypanosoma cruzi hypothetical protein, conserved 0.0238 0.7082 1
Trypanosoma cruzi JmjC domain, hydroxylase, putative 0.0028 0.0197 0.0032
Brugia malayi beta-lactamase family protein 0.004 0.0598 0.0642
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.004 0.0598 0.0596
Mycobacterium ulcerans hypothetical protein 0.004 0.0598 0.0493
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.2742 0.3717
Loa Loa (eye worm) PLK/PLK1 protein kinase 0.0106 0.2742 0.2947
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2742 0.2613
Mycobacterium ulcerans hypothetical protein 0.0027 0.0175 0.0032
Giardia lamblia Histone acetyltransferase GCN5 0.0044 0.071 0.0377
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0598 0.043
Trichomonas vaginalis esterase, putative 0.004 0.0598 0.043
Plasmodium vivax hypothetical protein, conserved 0.0033 0.0346 0.1217
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0197 0.0212
Trypanosoma brucei hypothetical protein, conserved 0.004 0.0598 0.0581
Loa Loa (eye worm) PHD-finger family protein 0.0033 0.0346 0.0372
Schistosoma mansoni jumonji domain containing protein 0.0151 0.4218 0.4532
Leishmania major aldehyde dehydrogenase, mitochondrial precursor 0.0068 0.1504 0.1958
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2742 0.2613
Plasmodium vivax JmjC domain containing protein 0.0028 0.0197 0.0694
Loa Loa (eye worm) acetyltransferase 0.0162 0.4594 0.4937
Loa Loa (eye worm) hypothetical protein 0.0028 0.0197 0.0212
Entamoeba histolytica mannose-6-phosphate isomerase, putative 0.005 0.091 0.0775
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2742 0.2613
Mycobacterium leprae probable mannose-6-phosphate isomerase ManA (PHOSPHOMANNOSE ISOMERASE) (PHOSPHOMANNOISOMERASE) (PMI) (PHOSPHOHEXOISOMERASE) (PHO 0.0059 0.1211 0.2436
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0048 0.084 0.0677
Echinococcus multilocularis beta LACTamase domain containing family member 0.004 0.0598 0.121
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0327 1 1
Brugia malayi PHD-finger family protein 0.0033 0.0346 0.0372
Trichomonas vaginalis CAMK family protein kinase 0.0106 0.2742 0.2613
Echinococcus granulosus PHD finger protein rhinoceros 0.0033 0.0346 0.0701
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0598 0.0642
Echinococcus granulosus JmjC domain containing protein 4 0.0028 0.0197 0.04
Trypanosoma cruzi polo-like protein kinase, putative 0.0106 0.2742 0.3717
Entamoeba histolytica phosphomannose isomerase, putative 0.0109 0.2844 0.2738
Schistosoma mansoni phosphatidylserine receptor 0.0028 0.0197 0.0212
Plasmodium falciparum phd finger protein, putative 0.0033 0.0346 0.1217
Loa Loa (eye worm) jmjC domain-containing protein 0.0028 0.0197 0.0212
Mycobacterium ulcerans glutaminase 0.0306 0.9306 1
Onchocerca volvulus Alhambra homolog 0.0033 0.0346 0.1263
Echinococcus granulosus lysine specific demethylase 6a 0.0028 0.0197 0.04
Echinococcus granulosus aldehyde dehydrogenase mitochondrial 0.0068 0.1504 0.3047
Loa Loa (eye worm) hypothetical protein 0.0074 0.1686 0.1812
Leishmania major protein kinase, putative,polo-like protein kinase, putative 0.0106 0.2742 0.3743
Trypanosoma brucei polo-like protein kinase 0.0106 0.2742 0.3697
Mycobacterium tuberculosis Probable esterase LipL 0.004 0.0598 0.0596
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.004 0.0598 0.0642
Trypanosoma cruzi hypothetical protein, conserved 0.004 0.0598 0.0611
Mycobacterium tuberculosis Conserved protein 0.004 0.0598 0.0596
Mycobacterium tuberculosis Probable lipase LipD 0.004 0.0598 0.0596
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0162 0.4594 0.4937
Onchocerca volvulus 0.0027 0.0146 0.0534
Leishmania major 2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative 0.0027 0.0175 0.0042
Plasmodium falciparum histone acetyltransferase GCN5 0.0044 0.071 0.2497
Loa Loa (eye worm) glutaminase 2 0.0306 0.9306 1
Mycobacterium ulcerans esterase/lipase LipP 0.004 0.0598 0.0493
Brugia malayi beta-lactamase 0.004 0.0598 0.0642
Trichomonas vaginalis mannose-6-phosphate isomerase, putative 0.0109 0.2844 0.2716
Plasmodium falciparum JmjC domain-containing protein, putative 0.0028 0.0197 0.0694
Echinococcus granulosus histone acetyltransferase KAT2B 0.0158 0.4445 0.9003
Schistosoma mansoni lipoxygenase 0.0132 0.3604 0.3872
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0258 0.7716 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0327 1 1
Mycobacterium tuberculosis Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase) 0.0027 0.0175 0.0038
Schistosoma mansoni lipoxygenase 0.0092 0.2302 0.2473
Schistosoma mansoni phd/f-box containing protein 0.0028 0.0197 0.0212
Schistosoma mansoni jumonji domain containing protein 0.0028 0.0197 0.0212
Mycobacterium leprae Probable lipase LipE 0.004 0.0598 0.1033
Echinococcus multilocularis peregrin 0.0037 0.0477 0.0965
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.016 0.4515 0.5771
Loa Loa (eye worm) jmjC domain-containing protein 0.0067 0.1485 0.1596
Entamoeba histolytica acetyltransferase, GNAT family 0.0044 0.071 0.0572
Trichomonas vaginalis CAMK family protein kinase 0.0052 0.0992 0.0831
Schistosoma mansoni bromodomain-containing nuclear protein 1 brd1 0.0033 0.0346 0.0372
Loa Loa (eye worm) hypothetical protein 0.0028 0.0197 0.0212
Trichomonas vaginalis D-aminoacylase, putative 0.004 0.0598 0.043
Loa Loa (eye worm) glutaminase 0.0306 0.9306 1
Brugia malayi mannose-6-phosphate isomerase, class I family protein 0.0109 0.2844 0.3056
Echinococcus granulosus Jumonji AT rich interactive domain 1B 0.0028 0.0197 0.04
Trypanosoma brucei phosphomannose isomerase 0.0109 0.2844 0.3845
Brugia malayi AMP-binding enzyme family protein 0.0027 0.0146 0.0157
Brugia malayi jmjC domain containing protein 0.0028 0.0197 0.0212
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.004 0.0598 0.0493
Giardia lamblia Kinase, PLK 0.0106 0.2742 0.2482
Echinococcus multilocularis aldehyde dehydrogenase, mitochondrial 0.0068 0.1504 0.3047
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0327 1 1
Brugia malayi jmjC domain containing protein 0.0028 0.0197 0.0212
Brugia malayi jmjC domain containing protein 0.0173 0.4938 0.5306
Brugia malayi beta-lactamase family protein 0.004 0.0598 0.0642
Echinococcus granulosus Transcription factor JmjC domain containing protein 0.0173 0.4938 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0327 1 1
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0162 0.4594 0.9305
Schistosoma mansoni protein phosphatase 2C 0.0028 0.0197 0.0212
Schistosoma mansoni jumonji/arid domain-containing protein 0.0105 0.2729 0.2933
Echinococcus granulosus peregrin 0.0037 0.0477 0.0965
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0048 0.084 0.2955

Activities

Activity type Activity value Assay description Source Reference
Potency (functional) 89.1251 uM PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623] ChEMBL. No reference

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.
 
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External resources for this compound

Bibliographic References

No literature references available for this target.

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