Detailed information for compound 1076689

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 319.357 | Formula: C19H17N3O2
  • H donors: 2 H acceptors: 2 LogP: 1.55 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: NC(=O)C1=CN(C=C(C1c1ccccc1)C(=O)N)c1ccccc1
  • InChi: 1S/C19H17N3O2/c20-18(23)15-11-22(14-9-5-2-6-10-14)12-16(19(21)24)17(15)13-7-3-1-4-8-13/h1-12,17H,(H2,20,23)(H2,21,24)
  • InChiKey: QWZLRMXMJKEEEV-UHFFFAOYSA-N  


Substructure search Similarity search

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 mitogen activated protein kinase 0.0052 0.0327 0.0432
Loa Loa (eye worm) hypothetical protein 0.0165 0.4626 0.5152
Brugia malayi Phosphoglycerate kinase 0.0063 0.0771 0.0774
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0907 0.0907
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.9625 1
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.9625 1
Brugia malayi Phosphoglycerate kinase 0.0172 0.4921 0.5487
Loa Loa (eye worm) phosphofructokinase 0.011 0.2552 0.2796
Chlamydia trachomatis phosphoglycerate kinase 0.0172 0.4921 0.5
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.2263 0.2302
Plasmodium vivax phosphoglycerate kinase, putative 0.0172 0.4921 0.5
Trypanosoma cruzi mitogen activated protein kinase 2, putative 0.0052 0.0327 0.0327
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.2263 0.2302
Trypanosoma brucei phosphoglycerate kinase 0.0063 0.0771 0.0771
Schistosoma mansoni scm-relatedprotein containing 4 mbt domains (sfmbt) 0.0048 0.0202 0.0119
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0063 0.0771 0.0771
Trypanosoma brucei phosphoglycerate kinase, putative 0.0063 0.0771 0.0771
Trichomonas vaginalis alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative 0.0068 0.0964 0.0685
Brugia malayi phosphofructokinase 0.011 0.2552 0.2796
Echinococcus multilocularis Glycoside hydrolase, family 27 0.0103 0.2263 0.3941
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0172 0.4921 0.4921
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.9625 1
Echinococcus multilocularis SAM and MBT domain containing protein 0.0048 0.0202 0.0204
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0327 0.0327
Echinococcus granulosus 6 phosphofructokinase 0.011 0.2552 0.4464
Echinococcus granulosus histone acetyltransferase MYST2 0.0055 0.0456 0.0665
Loa Loa (eye worm) hypothetical protein 0.0048 0.0202 0.0128
Schistosoma mansoni phosphoglycerate kinase 0.0172 0.4921 0.5115
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.2552 0.2796
Onchocerca volvulus 0.0153 0.4186 0.9004
Leishmania major mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440 0.0052 0.0327 0.024
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.0067 0.0907 0.0866
Schistosoma mansoni phosphoglycerate kinase 0.0172 0.4921 0.5115
Loa Loa (eye worm) mbt repeat family protein 0.0048 0.0202 0.0128
Echinococcus granulosus endonuclease exonuclease phosphatase 0.019 0.5606 1
Brugia malayi MAP kinase sur-1 0.0052 0.0327 0.027
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0907 0.0907
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.2263 0.2302
Loa Loa (eye worm) hypothetical protein 0.0172 0.4921 0.5487
Loa Loa (eye worm) hypothetical protein 0.0153 0.4186 0.4652
Echinococcus multilocularis histone acetyltransferase MYST2 0.0055 0.0456 0.0665
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0103 0.2263 0.2302
Giardia lamblia Fructose-bisphosphate aldolase 0.0296 0.9625 1
Trypanosoma brucei DNA polymerase eta, putative 0.0045 0.0089 0.0089
Echinococcus multilocularis mitogen activated protein kinase 3 0.0052 0.0327 0.0432
Echinococcus multilocularis polycomb protein SCMH1 0.0048 0.0202 0.0204
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2552 0.2393
Echinococcus granulosus polycomb protein SCMH1 0.0048 0.0202 0.0204
Mycobacterium leprae Probable phosphoglycerate kinase Pgk 0.0172 0.4921 1
Toxoplasma gondii phosphoglycerate kinase PGKII 0.0172 0.4921 1
Leishmania major phosphoglycerate kinase C, glycosomal 0.0172 0.4921 0.4876
Trypanosoma brucei mitogen activated protein kinase 4, putative 0.0052 0.0327 0.0327
Trypanosoma cruzi ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.2552 0.2552
Schistosoma mansoni serine/threonine protein kinase 0.0052 0.0327 0.0252
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0202 0.0119
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0063 0.0771 0.0771
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0172 0.4921 0.4941
Leishmania major mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.3871 0.3816
Loa Loa (eye worm) MBCTL1 0.0055 0.0456 0.0417
Echinococcus granulosus mitogen activated protein kinase 0.0052 0.0327 0.0432
Loa Loa (eye worm) hypothetical protein 0.0068 0.0964 0.0994
Entamoeba histolytica phosphofructokinase, putative 0.011 0.2552 0.1887
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2552 0.2393
Brugia malayi Pip kinase protein 2 0.0165 0.4626 0.5152
Trichomonas vaginalis glutaminase, putative 0.0277 0.8896 0.9216
Entamoeba histolytica phosphofructokinase, putative 0.011 0.2552 0.1887
Trypanosoma brucei ATP-dependent 6-phosphofructokinase, glycosomal 0.011 0.2552 0.2552
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.0067 0.0907 0.0826
Mycobacterium tuberculosis Conserved hypothetical protein 0.0161 0.4493 0.8193
Trypanosoma cruzi 3-phosphoglycerate kinase, glycosomal 0.0063 0.0771 0.0771
Schistosoma mansoni 6-phosphofructokinase 0.011 0.2552 0.2607
Trypanosoma brucei phosphoglycerate kinase 0.0172 0.4921 0.4921
Loa Loa (eye worm) glutaminase 2 0.0277 0.8896 1
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.0067 0.0907 0.0929
Echinococcus granulosus phosphatidylinositol 5 phosphate 4 kinase type 2 0.0165 0.4626 0.8224
Giardia lamblia Phosphoglycerate kinase 0.0172 0.4921 0.4941
Brugia malayi 6-phosphofructokinase 0.011 0.2552 0.2796
Mycobacterium ulcerans phosphoglycerate kinase 0.0172 0.4921 0.3735
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.9625 1
Brugia malayi mbt repeat family protein 0.0048 0.0202 0.0128
Schistosoma mansoni sex comb on midleg homolog 0.0048 0.0202 0.0119
Echinococcus granulosus phosphoglycerate kinase 1 0.0172 0.4921 0.8759
Brugia malayi hypothetical protein 0.0153 0.4186 0.4652
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.9625 1
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0063 0.0771 0.0771
Toxoplasma gondii melibiase subfamily protein 0.0103 0.2263 0.4322
Trypanosoma brucei phosphoglycerate kinase 0.0172 0.4921 0.4921
Toxoplasma gondii CMGC kinase, MAPK family (ERK) MAPK-1 0.0052 0.0327 0.0185
Mycobacterium ulcerans fructose-bisphosphate aldolase 0.0145 0.3865 0.207
Trichomonas vaginalis phosphoglycerate kinase, putative 0.0172 0.4921 0.4941
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0052 0.0358 0.0358
Trypanosoma cruzi mitochondrial DNA polymerase beta-PAK, putative 0.0145 0.3871 0.3871
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0964 0.0927
Brugia malayi 6-phosphofructokinase 0.011 0.2552 0.2796
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.0067 0.0907 0.0929
Echinococcus multilocularis 6 phosphofructokinase 0.011 0.2552 0.4464
Schistosoma mansoni myelin transcription factor 1 myt1 0.0055 0.0456 0.0389
Treponema pallidum phosphoglycerate kinase 0.0172 0.4921 0.335
Schistosoma mansoni glutaminase 0.0277 0.8896 0.9323
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.9625 1
Mycobacterium ulcerans hypothetical protein 0.0161 0.4493 0.306
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.0067 0.0907 0.0907
Schistosoma mansoni 6-phosphofructokinase 0.011 0.2552 0.2607
Echinococcus multilocularis endonuclease exonuclease phosphatase 0.019 0.5606 1
Trypanosoma cruzi mitogen activated protein kinase 4, putative 0.0052 0.0327 0.0327
Echinococcus multilocularis Alpha N acetylgalactosaminidase 0.0103 0.2263 0.3941
Loa Loa (eye worm) CMGC/MAPK/ERK1 protein kinase 0.0052 0.0327 0.027
Entamoeba histolytica phosphoglycerate kinase, putative 0.0172 0.4921 0.4605
Entamoeba histolytica phosphofructokinase, putative 0.011 0.2552 0.1887
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.0067 0.0907 0.1483
Loa Loa (eye worm) 6-phosphofructokinase 0.011 0.2552 0.2796
Leishmania major ATP-dependent phosphofructokinase 0.011 0.2552 0.2485
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2552 0.2393
Trypanosoma cruzi DNA polymerase eta, putative 0.0045 0.0089 0.0089
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.9625 1
Brugia malayi glutaminase DH11.1 0.0277 0.8896 1
Echinococcus multilocularis suppression of tumorigenicity 18 protein 0.0055 0.0456 0.0665
Loa Loa (eye worm) glutaminase 0.0277 0.8896 1
Entamoeba histolytica fructose-1,6-bisphosphate aldolase, putative 0.0296 0.9625 1
Wolbachia endosymbiont of Brugia malayi phosphoglycerate kinase 0.0172 0.4921 0.5
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.9625 1
Toxoplasma gondii phosphoglycerate kinase PGKI 0.0172 0.4921 1
Echinococcus granulosus suppression of tumorigenicity 18 protein 0.0055 0.0456 0.0665
Mycobacterium leprae Probable fructose bisphosphate aldolase Fba 0.0145 0.3865 0.5541
Trypanosoma brucei protein kinase, putative 0.0052 0.0327 0.0327
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0165 0.4626 0.4803
Echinococcus granulosus Alpha N acetylgalactosaminidase 0.0103 0.2263 0.3941
Echinococcus multilocularis phosphoglycerate kinase 1 0.0172 0.4921 0.8759
Schistosoma mansoni phosphatidylinositol-4-phosphate 5-kinase type II 0.0165 0.4626 0.4803
Mycobacterium ulcerans glutaminase 0.0277 0.8896 1
Trypanosoma cruzi phosphoglycerate kinase, putative 0.0172 0.4921 0.4921
Loa Loa (eye worm) hypothetical protein 0.0055 0.0456 0.0417
Leishmania major PAS-domain containing phosphoglycerate kinase, putative 0.0063 0.0771 0.0688
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.0067 0.0907 0.1483
Trypanosoma cruzi PAS-domain containing phosphoglycerate kinase, putative 0.0063 0.0771 0.0771
Schistosoma mansoni hypothetical protein 0.0294 0.9536 1
Onchocerca volvulus 0.0165 0.4626 1
Trypanosoma brucei mitochondrial DNA polymerase beta-PAK 0.0145 0.3871 0.3871
Schistosoma mansoni alpha-galactosidase/alpha-n-acetylgalactosaminidase 0.0068 0.0964 0.0927
Trypanosoma cruzi mitogen-activated protein kinase 11, putative 0.0052 0.0327 0.0327
Plasmodium falciparum phosphoglycerate kinase 0.0172 0.4921 0.5
Brugia malayi Melibiase family protein 0.0068 0.0964 0.0994
Echinococcus multilocularis phosphatidylinositol 5 phosphate 4 kinase type 2 0.0165 0.4626 0.8224
Trichomonas vaginalis fructose-bisphosphate aldolase, putative 0.0296 0.9625 1
Treponema pallidum fructose-bisphosphate aldolase 0.0296 0.9625 1
Brugia malayi mbt repeat family protein 0.0048 0.0202 0.0128
Brugia malayi C2-HC type zinc finger protein C.e-MyT1 0.0055 0.0456 0.0417
Echinococcus granulosus mitogen activated protein kinase 3 0.0052 0.0327 0.0432
Mycobacterium tuberculosis Probable phosphoglycerate kinase Pgk 0.0172 0.4921 1
Leishmania major phosphoglycerate kinase B, cytosolic 0.0172 0.4921 0.4876
Echinococcus granulosus SAM and MBT domain containing protein 0.0048 0.0202 0.0204
Leishmania major mitogen activated protein kinase, putative,map kinase, putative 0.0052 0.0327 0.024
Loa Loa (eye worm) pip kinase 2 0.0165 0.4626 0.5152
Trichomonas vaginalis phosphofructokinase, putative 0.011 0.2552 0.2393
Mycobacterium tuberculosis Probable fructose-bisphosphate aldolase Fba 0.0145 0.3865 0.5541

Activities

Activity type Activity value Assay description Source Reference
Inhibition (binding) = 89.1 % Inhibition of human SIRT1 expressed in Escherichia coli at 50 uM after 1 hr by fluorescent biochemical assay ChEMBL. 19663498

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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