Detailed information for compound 1561971

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 309.362 | Formula: C18H19N3O2
  • H donors: 1 H acceptors: 2 LogP: 2.27 Rotable bonds: 6
    Rule of 5 violations (Lipinski): 1
  • SMILES: CN(CCNC(=O)c1cc(nc2c1cccc2)c1ccco1)C
  • InChi: 1S/C18H19N3O2/c1-21(2)10-9-19-18(22)14-12-16(17-8-5-11-23-17)20-15-7-4-3-6-13(14)15/h3-8,11-12H,9-10H2,1-2H3,(H,19,22)
  • InChiKey: YYZAYDDKFYPJTJ-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
Mycobacterium ulcerans pyruvate kinase 0.0167 0.3984 1
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0004 0.001
Plasmodium vivax histone acetyltransferase GCN5, putative 0.0043 0.0235 0.0591
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0332 0.0361
Entamoeba histolytica hypothetical protein 0.0073 0.1143 0.4657
Loa Loa (eye worm) tyrosyl-DNA phosphodiesterase 0.007 0.1056 0.1056
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0332 0.0797
Entamoeba histolytica hypothetical protein 0.0073 0.1143 0.4657
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0167 0.3984 0.6825
Chlamydia trachomatis pyruvate kinase 0.0167 0.3984 0.5
Loa Loa (eye worm) transcription factor SMAD2 0.0365 1 1
Loa Loa (eye worm) hypothetical protein 0.0167 0.3984 0.3984
Echinococcus multilocularis pyruvate kinase 0.0086 0.1518 0.1653
Toxoplasma gondii histone lysine acetyltransferase GCN5-B 0.0043 0.0235 0.0591
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0332 0.0361
Brugia malayi acetyltransferase, GNAT family protein 0.0148 0.34 0.34
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0004 0.001
Schistosoma mansoni alpha glucosidase 0.0036 0.0004 0.0009
Trichomonas vaginalis pyruvate kinase, putative 0.0167 0.3984 1
Schistosoma mansoni hypothetical protein 0.0073 0.1143 0.2747
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0004 0.001
Echinococcus granulosus pyruvate kinase 0.0086 0.1518 0.1653
Brugia malayi Tyrosyl-DNA phosphodiesterase family protein 0.007 0.1056 0.1056
Schistosoma mansoni hypothetical protein 0.0173 0.4162 1
Leishmania major pyruvate kinase 0.0167 0.3984 1
Echinococcus multilocularis pyruvate kinase 0.0086 0.1518 0.1653
Trypanosoma brucei glucosidase, putative 0.0036 0.0004 0.001
Plasmodium vivax pyruvate kinase 2, putative 0.0086 0.1518 0.3809
Brugia malayi Glycosyl hydrolases family 31 protein 0.0161 0.3816 0.3816
Echinococcus granulosus geminin 0.0173 0.4162 0.4535
Brugia malayi RNA recognition motif domain containing protein 0.0126 0.2736 0.2736
Entamoeba histolytica acetyltransferase, GNAT family 0.004 0.0125 0.0497
Trypanosoma brucei tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1056 0.265
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1056 0.265
Leishmania major pyruvate kinase 0.0167 0.3984 1
Onchocerca volvulus 0.0049 0.0419 0.1051
Onchocerca volvulus Pyruvate kinase homolog 0.0167 0.3984 1
Giardia lamblia Pyruvate kinase 0.0167 0.3984 1
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0004 0.001
Schistosoma mansoni cellular tumor antigen P53 0.0049 0.0419 0.1006
Brugia malayi TAR-binding protein 0.0126 0.2736 0.2736
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2736 0.6574
Loa Loa (eye worm) hypothetical protein 0.0049 0.0419 0.0419
Loa Loa (eye worm) GTP-binding regulatory protein Gs alpha-S chain 0.0047 0.0332 0.0332
Echinococcus granulosus pyruvate kinase 0.0086 0.1518 0.1653
Loa Loa (eye worm) pyruvate kinase 0.0167 0.3984 0.3984
Onchocerca volvulus 0.0093 0.175 0.4393
Toxoplasma gondii pyruvate kinase PyKII 0.0086 0.1518 0.3809
Schistosoma mansoni tyrosyl-DNA phosphodiesterase 0.007 0.1056 0.2536
Schistosoma mansoni pyruvate kinase 0.0086 0.1518 0.3646
Brugia malayi hypothetical protein 0.0073 0.1143 0.1143
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2736 0.6574
Echinococcus multilocularis tar DNA binding protein 0.0126 0.2736 0.2981
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0004 0.001
Echinococcus granulosus transcription factor Dp 1 0.0041 0.0155 0.0169
Brugia malayi GTP-binding regulatory protein Gs alpha-S chain, putative 0.0047 0.0332 0.0332
Loa Loa (eye worm) pyruvate kinase 0.0167 0.3984 0.3984
Brugia malayi Glycosyl hydrolases family 31 protein 0.0036 0.0004 0.0004
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0036 0.0004 0.0004
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.3816 0.4157
Giardia lamblia Pyruvate kinase 0.0086 0.1518 0.3608
Toxoplasma gondii pyruvate kinase PyK1 0.0167 0.3984 1
Schistosoma mansoni gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2 0.0148 0.34 0.817
Echinococcus granulosus neutral alpha glucosidase AB 0.0036 0.0004 0.0004
Echinococcus granulosus histone acetyltransferase KAT2B 0.0043 0.0235 0.0256
Echinococcus granulosus Basic leucine zipper bZIP transcription 0.0073 0.1143 0.1246
Trypanosoma cruzi pyruvate kinase 2, putative 0.0167 0.3984 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0126 0.2736 0.2736
Mycobacterium tuberculosis Possible penicillin-binding protein 0.0228 0.5837 1
Echinococcus multilocularis tumor protein p63 0.0338 0.9178 1
Loa Loa (eye worm) pyruvate kinase 0.0167 0.3984 0.3984
Onchocerca volvulus Pyruvate kinase homolog 0.0167 0.3984 1
Entamoeba histolytica pyruvate kinase, putative 0.0116 0.2451 1
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.005 0.045 0.045
Echinococcus multilocularis pyruvate kinase 0.0132 0.2916 0.3177
Echinococcus granulosus pyruvate kinase 0.0167 0.3984 0.434
Loa Loa (eye worm) glycosyl hydrolase family 31 protein 0.0161 0.3816 0.3816
Trypanosoma brucei pyruvate kinase 1, putative 0.0167 0.3984 1
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0332 0.0797
Loa Loa (eye worm) TAR-binding protein 0.0126 0.2736 0.2736
Echinococcus multilocularis pyruvate kinase 0.0167 0.3984 0.434
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.0004 0.001
Onchocerca volvulus Pyruvate kinase homolog 0.0167 0.3984 1
Echinococcus multilocularis guanine nucleotide binding protein G(s) subunit 0.0047 0.0332 0.0361
Echinococcus multilocularis pyruvate kinase 0.0086 0.1518 0.1653
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2736 0.6574
Trypanosoma cruzi tyrosyl-DNA Phosphodiesterase (Tdp1), putative 0.007 0.1056 0.265
Loa Loa (eye worm) hypothetical protein 0.0116 0.2451 0.2451
Trichomonas vaginalis sucrase-isomaltase, putative 0.0036 0.0004 0.001
Loa Loa (eye worm) RNA binding protein 0.0126 0.2736 0.2736
Echinococcus granulosus lysosomal alpha glucosidase 0.0161 0.3816 0.4157
Trichomonas vaginalis bromodomain-containing protein, putative 0.0043 0.0235 0.0591
Trichomonas vaginalis cat eye syndrome critical region protein 2, cscr2, putative 0.0043 0.0235 0.0591
Echinococcus granulosus tyrosyl DNA phosphodiesterase 1 0.007 0.1056 0.115
Echinococcus multilocularis lysosomal alpha glucosidase 0.0161 0.3816 0.4157
Entamoeba histolytica hypothetical protein 0.0073 0.1143 0.4657
Echinococcus granulosus histone acetyltransferase KAT2B 0.0143 0.3275 0.3568
Schistosoma mansoni pyruvate kinase 0.0167 0.3984 0.9572
Loa Loa (eye worm) acetyltransferase 0.0148 0.34 0.34
Toxoplasma gondii glycosyl hydrolase, family 31 protein 0.0036 0.0004 0.001
Leishmania major alpha glucosidase II subunit, putative 0.0036 0.0004 0.001
Brugia malayi RNA binding protein 0.0126 0.2736 0.2736
Echinococcus multilocularis gcn5proteinral control of amino acid synthesis 0.0148 0.34 0.3705
Echinococcus multilocularis transcription factor Dp 1 0.0041 0.0155 0.0169
Mycobacterium leprae Probable pyruvate kinase PykA 0.0167 0.3984 1
Plasmodium vivax pyruvate kinase, putative 0.0167 0.3984 1
Plasmodium falciparum pyruvate kinase 0.0167 0.3984 1
Trichomonas vaginalis pyruvate kinase, putative 0.0167 0.3984 1
Echinococcus granulosus tumor protein p63 0.0338 0.9178 1
Echinococcus multilocularis pyruvate kinase 0.0167 0.3984 0.434
Loa Loa (eye worm) pyruvate kinase-PB 0.0116 0.2451 0.2451
Echinococcus granulosus pyruvate kinase 0.0086 0.1518 0.1653
Schistosoma mansoni hypothetical protein 0.0173 0.4162 1
Schistosoma mansoni transcription factor LCR-F1 0.0073 0.1143 0.2747
Plasmodium falciparum pyruvate kinase 2 0.0086 0.1518 0.3608
Echinococcus granulosus guanine nucleotide binding protein Gs subunit 0.0047 0.0332 0.0361
Echinococcus granulosus pyruvate kinase 0.0167 0.3984 0.434
Entamoeba histolytica hypothetical protein 0.0073 0.1143 0.4657
Trichomonas vaginalis maltase-glucoamylase, putative 0.0036 0.0004 0.001
Leishmania major tyrosyl-DNA phosphodiesterase 1 0.007 0.1056 0.265
Echinococcus multilocularis neutral alpha glucosidase AB 0.0036 0.0004 0.0004
Brugia malayi Pyruvate kinase, M2 isozyme 0.0167 0.3984 0.3984
Echinococcus multilocularis Basic leucine zipper (bZIP) transcription 0.0073 0.1143 0.1246
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2736 0.6574
Trichomonas vaginalis neutral alpha-glucosidase ab precursor, putative 0.0036 0.0004 0.001
Schistosoma mansoni alpha-glucosidase 0.0139 0.3133 0.7529
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0004 0.001
Trypanosoma brucei pyruvate kinase 1 0.0167 0.3984 1
Brugia malayi Pyruvate kinase, muscle isozyme 0.0167 0.3984 0.3984
Echinococcus multilocularis tyrosyl DNA phosphodiesterase 1 0.007 0.1056 0.115
Echinococcus granulosus tar DNA binding protein 0.0126 0.2736 0.2981
Echinococcus multilocularis geminin 0.0173 0.4162 0.4535
Loa Loa (eye worm) MH2 domain-containing protein 0.0365 1 1
Toxoplasma gondii histone lysine acetyltransferase GCN5-A 0.0043 0.0235 0.0591
Trypanosoma cruzi pyruvate kinase 2, putative 0.0167 0.3984 1
Schistosoma mansoni alpha-glucosidase 0.0139 0.3133 0.7529
Entamoeba histolytica tyrosyl-DNA phosphodiesterase, putative 0.007 0.1056 0.4298
Schistosoma mansoni tar DNA-binding protein 0.0126 0.2736 0.6574
Trichomonas vaginalis alpha-glucosidase, putative 0.0036 0.0004 0.001
Schistosoma mansoni Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein) 0.0047 0.0332 0.0797
Schistosoma mansoni pyruvate kinase 0.0167 0.3984 0.9572

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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