Detailed information for compound 2071808

Basic information

Technical information
  • Name: Unnamed compound
  • MW: 261.32 | Formula: C14H19N3O2
  • H donors: 1 H acceptors: 3 LogP: 0.86 Rotable bonds: 5
    Rule of 5 violations (Lipinski): 1
  • SMILES: CC(NC(=O)c1cccc(n1)C)CN1CCCC1=O
  • InChi: 1S/C14H19N3O2/c1-10-5-3-6-12(15-10)14(19)16-11(2)9-17-8-4-7-13(17)18/h3,5-6,11H,4,7-9H2,1-2H3,(H,16,19)
  • InChiKey: RKDMCODVNAILMV-UHFFFAOYSA-N  

Network

Hover on a compound node to display the structore

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
Brugia malayi Intermediate filament tail domain containing protein 0.005 0.0752 0.074
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0073 0.1321 0.1392
Schistosoma mansoni hypothetical protein 0.005 0.0749 0.0796
Loa Loa (eye worm) hypothetical protein 0.0042 0.0566 0.0517
Echinococcus granulosus lamin dm0 0.005 0.0752 0.0787
Trypanosoma cruzi aminopeptidase, putative 0.0042 0.0566 0.4983
Echinococcus multilocularis 0.0025 0.0145 0.0141
Toxoplasma gondii aminopeptidase n, putative 0.0042 0.0566 0.5
Brugia malayi POT family protein 0.005 0.0759 0.0747
Loa Loa (eye worm) hypothetical protein 0.005 0.0757 0.0708
Loa Loa (eye worm) peptidase family M1 containing protein 0.0042 0.0566 0.0517
Echinococcus granulosus leukotriene A 4 hydrolase 0.0407 0.9406 1
Echinococcus multilocularis musashi 0.005 0.0752 0.0787
Brugia malayi PHD-finger family protein 0.0031 0.0286 0.0273
Echinococcus multilocularis cytoplasmic intermediate filament protein 0.0024 0.0127 0.0122
Echinococcus granulosus matrix metallopeptidase 7 M10 family 0.0158 0.3383 0.3588
Mycobacterium tuberculosis Probable peptidoglycan hydrolase 0.0053 0.0831 0.5
Schistosoma mansoni hypothetical protein 0.0062 0.1042 0.1107
Brugia malayi Hemopexin family protein 0.0062 0.1042 0.103
Brugia malayi Peptidase family M1 containing protein 0.0042 0.0566 0.0554
Loa Loa (eye worm) bromodomain containing protein 0.0022 0.007 0.0018
Loa Loa (eye worm) angiotensin-converting enzyme family protein 0.0431 1 1
Brugia malayi hypothetical protein 0.0042 0.0566 0.0554
Trypanosoma brucei Aminopeptidase M1, putative 0.0042 0.0566 0.4983
Trypanosoma brucei metallo-peptidase, Clan MA(E) Family M1 0.0042 0.0566 0.4983
Loa Loa (eye worm) cytoplasmic intermediate filament protein 0.0027 0.0191 0.014
Loa Loa (eye worm) matrixin family protein 0.0105 0.2097 0.2056
Brugia malayi Bromodomain containing protein 0.0047 0.0684 0.0672
Echinococcus multilocularis leukotriene A 4 hydrolase 0.0407 0.9406 1
Giardia lamblia Protein phosphatase PP2A regulatory subunit B 0.0066 0.1137 0.5
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Brugia malayi TATA binding protein associated factor 0.0042 0.0566 0.0554
Schistosoma mansoni Tata binding protein associated factor (M01 family) 0.0042 0.0566 0.0602
Echinococcus granulosus methyl CpG binding domain protein 2 0.0021 0.0052 0.0042
Schistosoma mansoni matrix metallopeptidase-9 (M10 family) 0.0103 0.2052 0.2181
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Schistosoma mansoni intracisternal A-particle retropepsin (A02 family) 0.0361 0.8313 0.8838
Echinococcus multilocularis Peptidase M1, membrane alanine aminopeptidase, N terminal 0.0042 0.0566 0.0589
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Brugia malayi Matrixin family protein 0.0044 0.0601 0.0588
Echinococcus multilocularis geminin 0.0358 0.8224 0.8741
Echinococcus multilocularis lamin 0.005 0.0752 0.0787
Loa Loa (eye worm) aminopeptidase N 0.0042 0.0566 0.0517
Brugia malayi serine/threonine protein phosphatase 2A 0.0066 0.1137 0.1125
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0042 0.0566 0.4983
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0042 0.0566 0.4983
Echinococcus multilocularis lamin dm0 0.005 0.0752 0.0787
Trichomonas vaginalis serine/threonine-protein phosphatase 2A 55 kDa regulatory subunit B gamma isoform, putative 0.0066 0.1137 1
Trypanosoma cruzi aminopeptidase, putative 0.0042 0.0566 0.4983
Loa Loa (eye worm) hypothetical protein 0.0042 0.0566 0.0517
Schistosoma mansoni cytosol alanyl aminopeptidase (M01 family) 0.0042 0.0566 0.0602
Mycobacterium ulcerans hydrolase 0.0053 0.0831 1
Schistosoma mansoni aminopeptidase A (M01 family) 0.0042 0.0566 0.0602
Loa Loa (eye worm) matrix metalloproteinase 0.0044 0.0601 0.0551
Schistosoma mansoni lamin 0.005 0.0752 0.0799
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0073 0.1321 0.1392
Brugia malayi Matrixin family protein 0.0044 0.0601 0.0588
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0052 0.0055
Echinococcus multilocularis protein phosphatase pp2a regulatory subunit b 0.0066 0.1137 0.1197
Loa Loa (eye worm) intermediate filament protein 0.005 0.0752 0.0703
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0052 0.0055
Brugia malayi intermediate filament protein 0.005 0.0752 0.074
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.0066 0.1137 1
Loa Loa (eye worm) POT family protein 0.005 0.0759 0.0711
Brugia malayi hypothetical protein 0.0364 0.8385 0.8383
Brugia malayi Peptidase family M1 containing protein 0.0042 0.0566 0.0554
Echinococcus multilocularis methyl CpG binding domain protein 2 0.0021 0.0052 0.0042
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0042 0.0566 0.4983
Loa Loa (eye worm) hypothetical protein 0.0031 0.0289 0.0239
Echinococcus multilocularis histone lysine methyltransferase setb histone lysine methyltransferase eggless 0.0021 0.0052 0.0042
Brugia malayi Peptidase family M1 containing protein 0.0042 0.0566 0.0554
Schistosoma mansoni histone-lysine n-methyltransferase setb1 0.0021 0.0052 0.0055
Toxoplasma gondii aminopeptidase N protein 0.0042 0.0566 0.5
Brugia malayi Matrix metalloprotease, N-terminal domain containing protein 0.0053 0.0831 0.0819
Toxoplasma gondii aminopeptidase N, putative 0.0042 0.0566 0.5
Loa Loa (eye worm) TATA binding protein associated factor 0.0042 0.0566 0.0517
Loa Loa (eye worm) leukotriene A4 hydrolase 0.0407 0.9406 0.9403
Loa Loa (eye worm) hypothetical protein 0.0042 0.0566 0.0517
Onchocerca volvulus Matrilysin homolog 0.0097 0.1886 1
Loa Loa (eye worm) hypothetical protein 0.0044 0.0601 0.0551
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Onchocerca volvulus Matrix metalloproteinase homolog 0.0097 0.1886 1
Onchocerca volvulus 0.005 0.0752 0.1404
Trypanosoma cruzi protein phosphatase 2A regulatory subunit, putative 0.0066 0.1137 1
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Schistosoma mansoni hypothetical protein 0.0025 0.0159 0.0169
Echinococcus multilocularis bromodomain adjacent to zinc finger domain 0.0044 0.0614 0.064
Loa Loa (eye worm) hypothetical protein 0.0087 0.1648 0.1605
Schistosoma mansoni memapsin-2 (A01 family) 0.0074 0.1344 0.1429
Loa Loa (eye worm) serine/threonine protein phosphatase 2A 0.0066 0.1137 0.109
Trypanosoma cruzi metallo-peptidase, clan MA(E), family M1, putative 0.0042 0.0566 0.4983
Schistosoma mansoni family A2 unassigned peptidase (A02 family) 0.0066 0.1139 0.1211
Echinococcus granulosus cytoplasmic intermediate filament protein 0.0024 0.0127 0.0122
Schistosoma mansoni protein phosphatase pp2a regulatory subunit B 0.0066 0.1137 0.1209
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Loa Loa (eye worm) hypothetical protein 0.005 0.0752 0.0703
Trypanosoma cruzi puromycin-sensitive aminopeptidase-like protein, putative 0.0042 0.0566 0.4983
Loa Loa (eye worm) hypothetical protein 0.0053 0.0831 0.0782
Echinococcus multilocularis fetal alzheimer antigen, falz 0.0028 0.0215 0.0216
Plasmodium falciparum M1-family alanyl aminopeptidase, putative 0.0042 0.0566 0.5
Echinococcus granulosus geminin 0.0358 0.8224 0.8741
Brugia malayi hypothetical protein 0.0042 0.0566 0.0554
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0042 0.0566 0.5
Trypanosoma brucei protein phosphatase 2A regulatory subunit, putative 0.0066 0.1137 1
Brugia malayi Bromodomain containing protein 0.0092 0.1776 0.1765
Schistosoma mansoni hypothetical protein 0.0358 0.8224 0.8743
Loa Loa (eye worm) hypothetical protein 0.0024 0.0127 0.0076
Leishmania major hypothetical protein, conserved 0.0066 0.1137 1
Schistosoma mansoni methyl-cpg binding protein mbd 0.0021 0.0052 0.0055
Brugia malayi celfurPC protein 0.0025 0.0145 0.0133
Echinococcus granulosus lamin 0.005 0.0752 0.0787
Leishmania major protein phosphatase 2A regulatory subunit, putative 0.0066 0.1137 1
Echinococcus multilocularis matrix metallopeptidase 7 (M10 family) 0.0158 0.3383 0.3588
Echinococcus granulosus intermediate filament protein 0.005 0.0752 0.0787
Echinococcus granulosus zinc finger protein 0.0024 0.0127 0.0122
Brugia malayi Matrixin family protein 0.0044 0.0601 0.0588
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Brugia malayi endoprotease bli-4 precursor 0.0031 0.0289 0.0277
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.1137 1
Echinococcus granulosus furin 0.0031 0.0289 0.0295
Echinococcus granulosus histone lysine methyltransferase setb 0.0021 0.0052 0.0042
Schistosoma mansoni intermediate filament proteins 0.005 0.0752 0.0799
Mycobacterium leprae PROBABLE HYDROLASE 0.0053 0.0831 0.5
Trypanosoma cruzi metallo-peptidase, Clan MA(E) Family M1 0.0042 0.0566 0.4983
Schistosoma mansoni subfamily S8B unassigned peptidase (S08 family) 0.0031 0.0289 0.0308
Echinococcus multilocularis zinc finger protein 0.0024 0.0127 0.0122
Schistosoma mansoni lamin 0.005 0.0752 0.0799
Onchocerca volvulus 0.005 0.0752 0.1404
Onchocerca volvulus Protein phosphatase PP2A 55 kDa regulatory subunit homolog 0.0066 0.1137 0.4322
Echinococcus multilocularis aminopeptidase N 0.0042 0.0566 0.0589
Loa Loa (eye worm) matrixin family protein 0.0097 0.1886 0.1844
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Onchocerca volvulus 0.0062 0.1042 0.3601
Loa Loa (eye worm) hypothetical protein 0.0023 0.0105 0.0053
Loa Loa (eye worm) hypothetical protein 0.0044 0.0601 0.0551
Trypanosoma brucei hypothetical protein, conserved 0.0066 0.1137 1
Echinococcus granulosus protein phosphatase pp2a regulatory subunit b 0.0066 0.1137 0.1197
Trypanosoma brucei aminopeptidase, putative 0.0042 0.0566 0.4983
Trypanosoma cruzi hypothetical protein, conserved 0.0066 0.1137 1
Echinococcus granulosus aminopeptidase N 0.0042 0.0566 0.0589
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Loa Loa (eye worm) hypothetical protein 0.0049 0.073 0.0681
Plasmodium falciparum M1-family alanyl aminopeptidase 0.0042 0.0566 0.5
Trypanosoma cruzi Aminopeptidase M1, putative 0.0042 0.0566 0.4983
Echinococcus granulosus bromodomain adjacent to zinc finger domain 0.0044 0.0614 0.064
Loa Loa (eye worm) hypothetical protein 0.0044 0.0601 0.0551
Loa Loa (eye worm) endoprotease bli-4 0.0031 0.0289 0.0239
Loa Loa (eye worm) hypothetical protein 0.0023 0.0105 0.0053
Echinococcus multilocularis puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Echinococcus granulosus puromycin sensitive aminopeptidase 0.0042 0.0566 0.0589
Onchocerca volvulus Matrilysin homolog 0.0044 0.0601 0.0258
Loa Loa (eye worm) hypothetical protein 0.0052 0.0813 0.0765
Schistosoma mansoni leukotriene A4 hydrolase (M01 family) 0.0407 0.9406 1
Leishmania major aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0042 0.0566 0.4983
Schistosoma mansoni aminopeptidase PILS (M01 family) 0.0042 0.0566 0.0602
Loa Loa (eye worm) hypothetical protein 0.0047 0.0686 0.0637
Loa Loa (eye worm) PHD-finger family protein 0.0025 0.0159 0.0107
Trichomonas vaginalis protein phosphatase PP2A regulatory subunit B, putative 0.0066 0.1137 1
Trichomonas vaginalis protein phosphatase pp2a regulatory subunit B, putative 0.0066 0.1137 1
Schistosoma mansoni bromodomain containing protein 0.0078 0.1427 0.1517
Brugia malayi cytoplasmic intermediate filament protein 0.0027 0.0191 0.0179
Brugia malayi Matrixin family protein 0.0105 0.2097 0.2087
Entamoeba histolytica protein phosphatase regulatory subunit, putative 0.0066 0.1137 1
Schistosoma mansoni hypothetical protein 0.0358 0.8224 0.8743
Plasmodium vivax M1-family alanyl aminopeptidase, putative 0.0042 0.0566 0.5
Leishmania major aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1 0.0042 0.0566 0.4983
Leishmania major puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1 0.0042 0.0566 0.4983
Schistosoma mansoni acetyl-CoA C-acetyltransferase 0.0028 0.0215 0.0229
Schistosoma mansoni matrix metallopeptidase-7 (M10 family) 0.0044 0.0601 0.0638
Brugia malayi Matrixin family protein 0.0044 0.0601 0.0588
Onchocerca volvulus 0.0044 0.0601 0.0258
Echinococcus granulosus fetal alzheimer antigen falz 0.0028 0.0215 0.0216
Schistosoma mansoni zinc finger protein 0.0024 0.0127 0.0135
Loa Loa (eye worm) intermediate filament tail domain-containing protein 0.005 0.0752 0.0703
Trypanosoma brucei Aminopeptidase M1, putative 0.0042 0.0566 0.4983

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.