Detailed information for compound 828200

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 361.437 | Formula: C22H23N3O2
  • H donors: 2 H acceptors: 3 LogP: 3.52 Rotable bonds: 4
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCCN1C(=O)c2c(C1c1ccc(cc1)C)c(n[nH]2)c1cc(C)ccc1O
  • InChi: 1S/C22H23N3O2/c1-4-11-25-21(15-8-5-13(2)6-9-15)18-19(23-24-20(18)22(25)27)16-12-14(3)7-10-17(16)26/h5-10,12,21,26H,4,11H2,1-3H3,(H,23,24)
  • InChiKey: JFEXDHXYBXOVMJ-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 tyrosine protein kinase lyn tyrosine protein kinase blk 0.0041 0.0189 0.0607
Echinococcus multilocularis glutamyl tRNA(Gln) amidotransferase subunit A 0.0065 0.0327 0.1051
Mycobacterium tuberculosis Probable amidase AmiA2 (aminohydrolase) 0.0065 0.0327 0.026
Leishmania major monoglyceride lipase, putative 0.0509 0.2956 1
Wolbachia endosymbiont of Brugia malayi aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0065 0.0327 0.5
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0122 0.0186
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.003 0.0122 0.0393
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0509 0.2956 1
Mycobacterium ulcerans amidase 0.0065 0.0327 0.026
Leishmania major hypothetical protein, conserved 0.0065 0.0327 0.0895
Echinococcus granulosus monoacylglycerol lipase abhd12 0.003 0.0122 0.0393
Echinococcus granulosus tyrosine protein kinase HCK 0.0033 0.0141 0.0452
Plasmodium falciparum lysophospholipase, putative 0.0509 0.2956 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0122 0.0186
Schistosoma mansoni peptidase 0.003 0.0122 0.0393
Echinococcus multilocularis tyrosine protein kinase Blk 0.0037 0.0165 0.0531
Plasmodium vivax PST-A protein 0.0509 0.2956 1
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.0189 0.0607
Echinococcus granulosus tyrosine kinase 0.0037 0.0165 0.0531
Echinococcus multilocularis tyrosine protein kinase Srms 0.0037 0.0165 0.0531
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0122 0.0186
Echinococcus granulosus tyrosine protein kinase Lyn 0.0041 0.0189 0.0607
Brugia malayi protein phosphatase methylesterase 1 0.0021 0.0069 0.0221
Trichomonas vaginalis conserved hypothetical protein 0.0509 0.2956 1
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0122 0.0186
Leishmania major Bem46-like serine peptidase,Serine peptidase, Clan SC, Family S09X 0.003 0.0122 0.0186
Leishmania major hypothetical protein, conserved 0.003 0.0122 0.0186
Echinococcus granulosus tyrosine protein kinase Blk 0.0037 0.0165 0.0531
Toxoplasma gondii hypothetical protein 0.003 0.0122 1
Trichomonas vaginalis conserved hypothetical protein 0.0509 0.2956 1
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.003 0.0122 0.0186
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0036 0.0159 0.0509
Brugia malayi Protein C20orf22 0.003 0.0122 0.0393
Onchocerca volvulus Putative protein phosphatase methylesterase 1 0.0021 0.0069 0.5
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0122 0.0186
Echinococcus granulosus fatty acid amide hydrolase 1 0.0065 0.0327 0.1051
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0189 0.0607
Trypanosoma cruzi Serine peptidase, Clan SC, Family S09X, putative 0.003 0.0122 0.0186
Trypanosoma cruzi amidase, putative 0.0065 0.0327 0.0895
Echinococcus granulosus tyrosine kinase|tyrosine protein kinase Fyn 0.0037 0.0165 0.0531
Echinococcus granulosus abhydrolase domain containing 3 0.003 0.0122 0.0393
Entamoeba histolytica protein kinase, putative 0.0033 0.0141 0.0065
Mycobacterium ulcerans amidase 0.0065 0.0327 0.026
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.003 0.0122 1
Mycobacterium ulcerans hydrolase 0.003 0.0122 0.0054
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.003 0.0122 0.0186
Toxoplasma gondii hypothetical protein 0.003 0.0122 1
Toxoplasma gondii hypothetical protein 0.003 0.0122 1
Echinococcus multilocularis abhydrolase domain containing protein 8 0.0021 0.0069 0.0221
Echinococcus granulosus glutamyl tRNAGln amidotransferase subunit A 0.0065 0.0327 0.1051
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.003 0.0122 0.0186
Echinococcus granulosus maspardin 0.0021 0.0069 0.0221
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0509 0.2956 1
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0065 0.0327 0.1051
Brugia malayi Amidase family protein 0.0065 0.0327 0.1051
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.0189 0.0607
Mycobacterium leprae POSSIBLE LYSOPHOSPHOLIPASE 0.053 0.308 1
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.003 0.0122 0.0186
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0037 0.0165 0.0531
Echinococcus granulosus tyrosine protein kinase Fyn 0.0041 0.0189 0.0607
Trypanosoma brucei Serine peptidase, Clan SC, Family S09X 0.003 0.0122 0.0186
Echinococcus granulosus fatty acid amide hydrolase 1 0.0536 0.3115 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0122 0.0176
Mycobacterium leprae PROBABLE AMIDASE AMIC (AMINOHYDROLASE) 0.0065 0.0327 0.0859
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0509 0.2956 1
Echinococcus granulosus abhydrolase domain containing protein 13 0.003 0.0122 0.0393
Trypanosoma cruzi serine peptidase, putative 0.003 0.0122 0.0186
Trypanosoma brucei monoglyceride lipase, putative 0.0509 0.2956 1
Mycobacterium tuberculosis Possible amidase (aminohydrolase) 0.0065 0.0327 0.026
Echinococcus multilocularis protein phosphatase methylesterase 1 0.0021 0.0069 0.0221
Schistosoma mansoni fatty-acid amide hydrolase 0.0065 0.0327 0.1051
Toxoplasma gondii esterase/lipase/thioesterase domain-containing protein 0.003 0.0122 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0509 0.2956 1
Mycobacterium tuberculosis Probable amidase AmiC (aminohydrolase) 0.0065 0.0327 0.026
Toxoplasma gondii peptidase S15, putative 0.003 0.0122 1
Echinococcus granulosus 3'partial|tyrosine protein kinase Fgr 0.0041 0.0189 0.0607
Echinococcus granulosus protein phosphatase methylesterase 1 0.0021 0.0069 0.0221
Mycobacterium leprae PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A) 0.0065 0.0327 0.0859
Toxoplasma gondii phospholipase/carboxylesterase 0.003 0.0122 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0122 0.0186
Mycobacterium tuberculosis Probable amidase AmiD (acylamidase) (acylase) 0.0065 0.0327 0.026
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0122 0.0186
Schistosoma mansoni tyrosine kinase 0.0041 0.0189 0.0607
Plasmodium falciparum esterase, putative 0.0509 0.2956 1
Mycobacterium ulcerans aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0065 0.0327 0.026
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0122 0.0186
Echinococcus multilocularis abhydrolase domain containing 3 0.003 0.0122 0.0393
Brugia malayi hydrolase, alpha/beta fold family protein 0.0021 0.0069 0.0221
Schistosoma mansoni family S9 unassigned peptidase (S09 family) 0.003 0.0122 0.0393
Mycobacterium ulcerans peptide amidase, GatA 0.0065 0.0327 0.026
Loa Loa (eye worm) hypothetical protein 0.0536 0.3115 1
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.003 0.0122 0.0186
Loa Loa (eye worm) hypothetical protein 0.003 0.0122 0.0176
Loa Loa (eye worm) TK protein kinase 0.0033 0.0141 0.0237
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0189 0.0607
Toxoplasma gondii protein c14orf29, putative 0.003 0.0122 1
Treponema pallidum aspartyl/glutamyl-tRNA amidotransferase subunit A 0.0065 0.0327 1
Echinococcus granulosus proto oncogene tyrosine protein kinase LCK 0.0041 0.0189 0.0607
Brugia malayi SRC-1 0.0041 0.0189 0.0607
Mycobacterium ulcerans 2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD 0.17 1 1
Mycobacterium tuberculosis Probable amidase AmiB2 (aminohydrolase) 0.0065 0.0327 0.026
Mycobacterium ulcerans amidase 0.0065 0.0327 0.026
Trypanosoma cruzi hydrolase, alpha/beta fold family, putative 0.003 0.0122 0.0186
Schistosoma mansoni protein phosphatase methylesterase 1 (S33 family) 0.0021 0.0069 0.0221
Plasmodium falciparum glutamyl-tRNA(Gln) amidotransferase subunit A 0.0065 0.0327 0.0723
Mycobacterium ulcerans lysophospholipase 0.0509 0.2956 0.2907
Echinococcus multilocularis monoacylglycerol lipase abhd12 0.003 0.0122 0.0393
Mycobacterium ulcerans amidase 0.0065 0.0327 0.026
Mycobacterium ulcerans hypothetical protein 0.0509 0.2956 0.2907
Echinococcus multilocularis tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase 0.0041 0.0189 0.0607
Echinococcus multilocularis tyrosine protein kinase Fgr 0.0041 0.0189 0.0607
Trypanosoma cruzi serine peptidase, putative 0.003 0.0122 0.0186
Toxoplasma gondii hydrolase, alpha/beta fold family protein 0.003 0.0122 1
Onchocerca volvulus Valacyclovir hydrolase homolog 0.0021 0.0069 0.5
Echinococcus multilocularis tyrosine protein kinase Fyn 0.0041 0.0189 0.0607
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0122 0.0186
Plasmodium falciparum lysophospholipase, putative 0.0509 0.2956 1
Echinococcus granulosus tyrosine protein kinase Src42A 0.0036 0.0159 0.0509
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.003 0.0122 0.0186
Mycobacterium tuberculosis Conserved hypothetical protein 0.003 0.0122 0.0054
Echinococcus multilocularis Phospholipase carboxylesterase 0.003 0.0122 0.0393
Brugia malayi Amidase family protein 0.0065 0.0327 0.1051
Mycobacterium ulcerans amidase 0.0065 0.0327 0.026
Mycobacterium tuberculosis Possible lysophospholipase 0.053 0.308 0.3032
Trypanosoma cruzi Alpha/beta hydrolase family, putative 0.003 0.0122 0.0186
Entamoeba histolytica hydrolase, alpha/beta fold family domain containing protein 0.0509 0.2956 1
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.003 0.0122 0.0186
Onchocerca volvulus 0.0021 0.0069 0.5
Loa Loa (eye worm) hypothetical protein 0.003 0.0122 0.0176
Plasmodium falciparum lysophospholipase, putative 0.0509 0.2956 1
Echinococcus granulosus fatty acid amide hydrolase 1 0.0536 0.3115 1
Chlamydia trachomatis glutamyl-tRNA(Gln) amidotransferase subunit A 0.0065 0.0327 1
Echinococcus multilocularis tyrosine protein kinase HCK 0.0033 0.0141 0.0452
Plasmodium vivax glutamyl-tRNA(Gln) amidotransferase subunit A, putative 0.0065 0.0327 0.0723
Loa Loa (eye worm) amidase 0.0065 0.0327 0.0849
Toxoplasma gondii hypothetical protein 0.003 0.0122 1
Loa Loa (eye worm) hypothetical protein 0.003 0.0122 0.0176
Echinococcus multilocularis tyrosine protein kinase Src42A 0.0041 0.0189 0.0607
Echinococcus granulosus abhydrolase domain containing protein 8 0.0021 0.0069 0.0221
Trichomonas vaginalis valacyclovir hydrolase, putative 0.0509 0.2956 1
Trypanosoma cruzi amidase, putative 0.0065 0.0327 0.0895
Trypanosoma cruzi monoglyceride lipase, putative 0.0509 0.2956 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0509 0.2956 1
Echinococcus multilocularis tyrosine protein kinase Src64B 0.0041 0.0189 0.0607
Brugia malayi CCG1-interacting factor B 0.0021 0.0069 0.0221
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0122 0.0186
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0536 0.3115 1
Giardia lamblia Cgi67 serine protease precursor-like protein 0.003 0.0122 1
Trypanosoma brucei monoglyceride lipase, putative 0.0509 0.2956 1
Onchocerca volvulus Alpha\/beta hydrolase2 homolog 0.0021 0.0069 0.5
Brugia malayi MGC83647 protein 0.003 0.0122 0.0393
Leishmania major hypothetical protein, conserved 0.003 0.0122 0.0186
Echinococcus multilocularis abhydrolase domain containing protein 13 0.0021 0.0069 0.0221
Onchocerca volvulus 0.0021 0.0069 0.5
Mycobacterium ulcerans hypothetical protein 0.003 0.0122 0.0054
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0122 0.0186
Loa Loa (eye worm) SRC-1 0.0041 0.0189 0.0396
Echinococcus multilocularis fatty acid amide hydrolase 1 0.0536 0.3115 1
Loa Loa (eye worm) TK protein kinase 0.0037 0.0165 0.0317
Echinococcus multilocularis proto oncogene tyrosine protein kinase LCK 0.0041 0.0189 0.0607
Schistosoma mansoni tyrosine kinase 0.0041 0.0189 0.0607
Schistosoma mansoni glutamyl-tRNA(Gln) amidotransferase subunit A 0.0065 0.0327 0.1051
Loa Loa (eye worm) amidase 0.0065 0.0327 0.0849
Echinococcus granulosus tyrosine protein kinase Src42A 0.0041 0.0189 0.0607
Echinococcus granulosus Phospholipase carboxylesterase 0.003 0.0122 0.0393
Echinococcus multilocularis maspardin 0.0021 0.0069 0.0221
Brugia malayi amidase 0.0536 0.3115 1
Schistosoma mansoni amidase 0.0536 0.3115 1
Brugia malayi putative amidase 0.0065 0.0327 0.1051
Trichomonas vaginalis Clan SC, family S9, unassigned serine peptidase 0.003 0.0122 0.0186
Schistosoma mansoni fatty-acid amide hydrolase 0.0536 0.3115 1
Trypanosoma brucei Alpha/beta hydrolase family, putative 0.003 0.0122 0.0186
Trypanosoma brucei fatty-acid amide hydrolase, putative 0.0065 0.0327 0.0895
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.003 0.0122 0.0186
Brugia malayi protein-tyrosine kinase 0.0037 0.0165 0.0531
Echinococcus granulosus tyrosine protein kinase Src64B 0.0041 0.0189 0.0607
Brugia malayi MGC79044 protein 0.003 0.0122 0.0393
Toxoplasma gondii phospholipase 0.003 0.0122 1
Trichomonas vaginalis Clan SC, family S33, methylesterase-like serine peptidase 0.0509 0.2956 1
Mycobacterium ulcerans hypothetical protein 0.003 0.0122 0.0054
Trichomonas vaginalis conserved hypothetical protein 0.003 0.0122 0.0186
Loa Loa (eye worm) hypothetical protein 0.003 0.0122 0.0176

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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