Detailed information for compound 704326

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 304.384 | Formula: C17H24N2O3
  • H donors: 1 H acceptors: 2 LogP: 2.1 Rotable bonds: 7
    Rule of 5 violations (Lipinski): 1
  • SMILES: CCC(C(=O)NC1CC(=O)N(C1)c1cccc(c1)OC)CC
  • InChi: 1S/C17H24N2O3/c1-4-12(5-2)17(21)18-13-9-16(20)19(11-13)14-7-6-8-15(10-14)22-3/h6-8,10,12-13H,4-5,9,11H2,1-3H3,(H,18,21)
  • InChiKey: HXKWDKYDYCWHQX-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
Trypanosoma brucei inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.076 0.1964
Loa Loa (eye worm) hypothetical protein 0.0036 0.075 0.1452
Echinococcus granulosus thioredoxin glutathione reductase 0.004 0.0932 0.1311
Trypanosoma cruzi pyruvate kinase 2, putative 0.0101 0.3869 1
Schistosoma mansoni hypothetical protein 0.0034 0.0646 0.0908
Mycobacterium tuberculosis NAD(P)H quinone reductase LpdA 0.01 0.3784 0.3784
Brugia malayi beta-lactamase 0.0036 0.075 0.1452
Toxoplasma gondii ABC1 family protein 0.0036 0.075 0.1939
Trypanosoma brucei pyruvate kinase 1, putative 0.0101 0.3869 1
Echinococcus granulosus pyruvate kinase 0.0052 0.1516 0.2131
Leishmania major trypanothione reductase 0.0039 0.0907 0.2345
Echinococcus multilocularis pyruvate kinase 0.0101 0.3869 0.544
Mycobacterium ulcerans hypothetical protein 0.0036 0.075 0.1939
Schistosoma mansoni hypothetical protein 0.0034 0.0646 0.0908
Mycobacterium tuberculosis Probable NADH dehydrogenase Ndh 0.009 0.3307 0.3307
Echinococcus multilocularis diuretic hormone 44 receptor GPRdih2 0.0034 0.0646 0.0908
Plasmodium falciparum glutathione reductase 0.0039 0.0907 0.2345
Echinococcus multilocularis inositol monophosphatase 1 0.0036 0.076 0.1069
Loa Loa (eye worm) hypothetical protein 0.0034 0.0646 0.125
Mycobacterium tuberculosis Probable conserved lipoprotein 0.0036 0.075 0.075
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.075 0.1055
Mycobacterium leprae conserved hypothetical protein 0.0036 0.075 0.052
Mycobacterium ulcerans lipase LipD 0.0036 0.075 0.1939
Echinococcus multilocularis pyruvate kinase 0.0052 0.1516 0.2131
Plasmodium vivax hypothetical protein, conserved 0.0036 0.075 0.1939
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5127 0.7208
Brugia malayi Thioredoxin reductase 0.0039 0.0907 0.1756
Trichomonas vaginalis pyruvate kinase, putative 0.0101 0.3869 1
Trichomonas vaginalis esterase, putative 0.0036 0.075 0.1939
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.075 0.1939
Loa Loa (eye worm) hypothetical protein 0.0036 0.075 0.1452
Brugia malayi Pyruvate kinase, muscle isozyme 0.0101 0.3869 0.7489
Echinococcus granulosus pyruvate kinase 0.0101 0.3869 0.544
Echinococcus multilocularis geminin 0.017 0.7112 1
Brugia malayi RNA recognition motif domain containing protein 0.0128 0.5127 0.9923
Toxoplasma gondii thioredoxin reductase 0.0039 0.0907 0.2345
Giardia lamblia Pyruvate kinase 0.0052 0.1516 0.3917
Plasmodium vivax pyruvate kinase 2, putative 0.0052 0.1516 0.3917
Plasmodium vivax thioredoxin reductase, putative 0.0039 0.0907 0.2345
Loa Loa (eye worm) pyruvate kinase 0.0101 0.3869 0.7489
Echinococcus multilocularis pyruvate kinase 0.008 0.285 0.4008
Plasmodium vivax glutathione reductase, putative 0.0039 0.0907 0.2345
Mycobacterium tuberculosis Probable membrane NADH dehydrogenase NdhA 0.009 0.3307 0.3307
Onchocerca volvulus Pyruvate kinase homolog 0.0101 0.3869 1
Mycobacterium tuberculosis Putative ferredoxin reductase 0.009 0.3307 0.3307
Loa Loa (eye worm) pyruvate kinase 0.0101 0.3869 0.7489
Brugia malayi latrophilin 2 splice variant baaae 0.0073 0.2517 0.4871
Echinococcus granulosus tar DNA binding protein 0.0128 0.5127 0.7208
Echinococcus multilocularis pyruvate kinase 0.0052 0.1516 0.2131
Loa Loa (eye worm) beta-LACTamase domain containing family member 0.0036 0.075 0.1452
Echinococcus multilocularis pyruvate kinase 0.0052 0.1516 0.2131
Loa Loa (eye worm) hypothetical protein 0.0107 0.4128 0.7991
Echinococcus multilocularis beta LACTamase domain containing family member 0.0036 0.075 0.1055
Brugia malayi beta-lactamase family protein 0.0036 0.075 0.1452
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5127 0.7208
Leishmania major hypothetical protein, conserved 0.0036 0.075 0.1939
Trypanosoma cruzi pyruvate kinase 2, putative 0.0101 0.3869 1
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.075 0.1939
Mycobacterium tuberculosis Possible conserved lipoprotein LpqK 0.0036 0.075 0.075
Echinococcus granulosus pyruvate kinase 0.0101 0.3869 0.544
Brugia malayi calcium-independent alpha-latrotoxin receptor 2, putative 0.0034 0.0646 0.125
Echinococcus multilocularis pyruvate kinase 0.0101 0.3869 0.544
Brugia malayi Corticotropin releasing factor receptor 2 precursor, putative 0.0107 0.4128 0.7991
Loa Loa (eye worm) TAR-binding protein 0.0128 0.5127 0.9923
Echinococcus granulosus diuretic hormone 44 receptor GPRdih2 0.0034 0.0646 0.0908
Loa Loa (eye worm) glutathione reductase 0.0039 0.0907 0.1756
Echinococcus granulosus pyruvate kinase 0.0052 0.1516 0.2131
Leishmania major myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.076 0.1964
Mycobacterium leprae PROBABLE NADH DEHYDROGENASE NDH 0.009 0.3307 0.8292
Trypanosoma brucei pyruvate kinase 1 0.0101 0.3869 1
Schistosoma mansoni inositol monophosphatase 0.0036 0.076 0.1069
Plasmodium falciparum thioredoxin reductase 0.0039 0.0907 0.2345
Treponema pallidum exodeoxyribonuclease (exoA) 0.002 0 0.5
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5127 0.7208
Brugia malayi beta-lactamase family protein 0.0036 0.075 0.1452
Mycobacterium tuberculosis Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras 0.01 0.3784 0.3784
Schistosoma mansoni hypothetical protein 0.017 0.7112 1
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.075 0.1939
Brugia malayi glutathione reductase 0.0039 0.0907 0.1756
Brugia malayi Pyruvate kinase, M2 isozyme 0.0101 0.3869 0.7489
Loa Loa (eye worm) latrophilin receptor protein 2 0.0034 0.0646 0.125
Leishmania major pyruvate kinase 0.0101 0.3869 1
Loa Loa (eye worm) MH2 domain-containing protein 0.0129 0.5167 1
Brugia malayi Calcitonin receptor-like protein seb-1 0.0107 0.4128 0.7991
Mycobacterium ulcerans esterase/lipase LipP 0.0036 0.075 0.1939
Mycobacterium tuberculosis Probable esterase LipL 0.0036 0.075 0.075
Schistosoma mansoni hypothetical protein 0.017 0.7112 1
Loa Loa (eye worm) RNA recognition domain-containing protein domain-containing protein 0.0128 0.5127 0.9923
Mycobacterium ulcerans pyruvate kinase 0.0101 0.3869 1
Loa Loa (eye worm) pyruvate kinase 0.0101 0.3869 0.7489
Loa Loa (eye worm) inositol-1 0.0036 0.076 0.1471
Mycobacterium tuberculosis Probable esterase/lipase LipP 0.0036 0.075 0.075
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.076 0.1964
Mycobacterium leprae Probable lipase LipE 0.0036 0.075 0.052
Mycobacterium tuberculosis Probable hydrolase 0.0036 0.075 0.075
Trypanosoma brucei hypothetical protein, conserved 0.0036 0.075 0.1939
Mycobacterium tuberculosis Conserved protein 0.0036 0.075 0.075
Brugia malayi pyruvate kinase 0.0021 0.0053 0.0102
Chlamydia trachomatis pyruvate kinase 0.0101 0.3869 0.5
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.076 0.1964
Onchocerca volvulus Pyruvate kinase homolog 0.0101 0.3869 1
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.075 0.1939
Loa Loa (eye worm) RNA binding protein 0.0128 0.5127 0.9923
Trypanosoma cruzi hypothetical protein, conserved 0.0036 0.075 0.1939
Brugia malayi Inositol-1 0.0036 0.076 0.1471
Schistosoma mansoni family S12 unassigned peptidase (S12 family) 0.0036 0.075 0.1055
Mycobacterium tuberculosis Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB 0.009 0.3307 0.3307
Entamoeba histolytica pyruvate kinase, putative 0.0071 0.2406 1
Mycobacterium tuberculosis Probable reductase 0.009 0.3307 0.3307
Loa Loa (eye worm) hypothetical protein 0.0036 0.075 0.1452
Loa Loa (eye worm) beta-lactamase 0.0036 0.075 0.1452
Brugia malayi Latrophilin receptor protein 2 0.0034 0.0646 0.125
Mycobacterium tuberculosis Probable lipase LipD 0.0036 0.075 0.075
Mycobacterium ulcerans beta-lactamase 0.0036 0.075 0.1939
Echinococcus multilocularis cadherin EGF LAG seven pass G type receptor 0.0034 0.0646 0.0908
Onchocerca volvulus Pyruvate kinase homolog 0.0101 0.3869 1
Trypanosoma brucei trypanothione reductase 0.0039 0.0907 0.2345
Loa Loa (eye worm) hypothetical protein 0.0071 0.2406 0.4657
Brugia malayi pyruvate kinase, muscle isozyme 0.0021 0.0053 0.0102
Mycobacterium tuberculosis Conserved protein 0.0036 0.075 0.075
Loa Loa (eye worm) hypothetical protein 0.0101 0.3869 0.7489
Mycobacterium leprae DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE 0.01 0.3784 0.9741
Mycobacterium tuberculosis Probable lipase LipE 0.0036 0.075 0.075
Mycobacterium tuberculosis NADPH-dependent mycothiol reductase Mtr 0.0039 0.0907 0.0907
Schistosoma mansoni hypothetical protein 0.0034 0.0646 0.0908
Trichomonas vaginalis D-aminoacylase, putative 0.0036 0.075 0.1939
Schistosoma mansoni hypothetical protein 0.0073 0.2517 0.3538
Mycobacterium tuberculosis Inositol-1-monophosphatase SuhB 0.0032 0.0579 0.0579
Echinococcus granulosus inositol monophosphatase 1 0.0036 0.076 0.1069
Echinococcus granulosus geminin 0.017 0.7112 1
Echinococcus multilocularis GPCR, family 2 0.0034 0.0646 0.0908
Loa Loa (eye worm) hypothetical protein 0.0073 0.2517 0.4871
Trichomonas vaginalis pyruvate kinase, putative 0.0101 0.3869 1
Loa Loa (eye worm) pyruvate kinase 0.0021 0.0053 0.0102
Echinococcus granulosus GPCR family 2 0.0034 0.0646 0.0908
Echinococcus granulosus cadherin EGF LAG seven pass G type receptor 0.0034 0.0646 0.0908
Brugia malayi Pyruvate kinase, alpha/beta domain containing protein 0.0031 0.0497 0.0962
Brugia malayi TAR-binding protein 0.0128 0.5127 0.9923
Schistosoma mansoni inositol monophosphatase 0.0036 0.076 0.1069
Mycobacterium tuberculosis Probable oxidoreductase 0.01 0.3784 0.3784
Toxoplasma gondii pyruvate kinase PyKII 0.0052 0.1516 0.3917
Echinococcus granulosus pyruvate kinase 0.0052 0.1516 0.2131
Mycobacterium tuberculosis Probable dehydrogenase 0.009 0.3307 0.3307
Schistosoma mansoni pyruvate kinase 0.0101 0.3869 0.544
Mycobacterium ulcerans fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE 0.0036 0.075 0.1939
Loa Loa (eye worm) hypothetical protein 0.0036 0.075 0.1452
Wolbachia endosymbiont of Brugia malayi fructose-1,6-bisphosphatase 0.0036 0.076 1
Echinococcus granulosus beta LACTamase domain containing family member 0.0036 0.075 0.1055
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5127 0.7208
Brugia malayi Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative 0.0036 0.075 0.1452
Giardia lamblia Pyruvate kinase 0.0101 0.3869 1
Toxoplasma gondii pyruvate kinase PyK1 0.0101 0.3869 1
Entamoeba histolytica myo-inositol monophosphatase, putative 0.0036 0.076 0.3159
Schistosoma mansoni pyruvate kinase 0.0101 0.3869 0.544
Echinococcus multilocularis tar DNA binding protein 0.0128 0.5127 0.7208
Brugia malayi MH2 domain containing protein 0.0129 0.5167 1
Mycobacterium tuberculosis Conserved protein 0.0036 0.075 0.075
Plasmodium falciparum pyruvate kinase 2 0.0052 0.1516 0.3917
Trichomonas vaginalis inositol monophosphatase, putative 0.0036 0.076 0.1964
Trypanosoma cruzi myo-inositol-1(or 4)-monophosphatase 1, putative 0.0036 0.076 0.1964
Plasmodium vivax pyruvate kinase, putative 0.0101 0.3869 1
Mycobacterium ulcerans extragenic suppressor protein SuhB 0.0036 0.076 0.1964
Trypanosoma cruzi trypanothione reductase, putative 0.0039 0.0907 0.2345
Loa Loa (eye worm) thioredoxin reductase 0.0039 0.0907 0.1756
Schistosoma mansoni hypothetical protein 0.0034 0.0646 0.0908
Schistosoma mansoni tar DNA-binding protein 0.0128 0.5127 0.7208
Trichomonas vaginalis myo inositol monophosphatase, putative 0.0036 0.076 0.1964
Toxoplasma gondii inositol(myo)-1(or 4)-monophosphatase 2, putative 0.0036 0.076 0.1964
Loa Loa (eye worm) transcription factor SMAD2 0.0129 0.5167 1
Echinococcus multilocularis thioredoxin glutathione reductase 0.004 0.0932 0.1311
Loa Loa (eye worm) pyruvate kinase-PB 0.0071 0.2406 0.4657
Plasmodium falciparum pyruvate kinase 0.0101 0.3869 1
Leishmania major pyruvate kinase 0.0101 0.3869 1
Loa Loa (eye worm) hypothetical protein 0.0036 0.075 0.1452
Loa Loa (eye worm) pigment dispersing factor receptor c 0.0107 0.4128 0.7991
Mycobacterium leprae Probable pyruvate kinase PykA 0.0101 0.3869 1
Schistosoma mansoni pyruvate kinase 0.0052 0.1516 0.2131
Loa Loa (eye worm) hypothetical protein 0.0036 0.075 0.1452
Trichomonas vaginalis penicillin-binding protein, putative 0.0036 0.075 0.1939
Brugia malayi RNA binding protein 0.0128 0.5127 0.9923
Mycobacterium tuberculosis Probable pyruvate kinase PykA 0.0101 0.3869 0.3869

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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