TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 231.294 | Formula: C13H17N3O
H donors: 3 H acceptors: 1 LogP: 2.67 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNNC(=O)c1cc2c([nH]1)cccc2
InChi: 1S/C13H17N3O/c1-2-3-8-14-16-13(17)12-9-10-6-4-5-7-11(10)15-12/h4-7,9,14-15H,2-3,8H2,1H3,(H,16,17)
InChiKey: GSTPEQMAKPVZFU-UHFFFAOYSA-N

Network

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Target Layer

Model Organisms

Species	Viewmode
Arabidopsis thaliana
Caenorhabditis elegans
Dictyostelium discoideum
Drosophila melanogaster
Escherichia coli
Homo sapiens
Mus musculus
Oryza sativa
Saccharomyces cerevisiae
Schmidtea mediterranea
Other organisms

TDR Pathogens:

Species	Viewmode
Brugia malayi
Chlamydia trachomatis
Echinococcus granulosus
Entamoeba histolytica
Echinococcus multilocularis
Giardia lamblia
Leishmania major
Loa Loa (eye worm)
Mycobacterium leprae
Mycobacterium tuberculosis
Mycobacterium ulcerans
Onchocerca volvulus
Plasmodium falciparum
Plasmodium vivax
Schistosoma mansoni
Trypanosoma brucei
Trypanosoma cruzi
Toxoplasma gondii
Treponema pallidum
Trichomonas vaginalis
Wolbachia endosymbiont of Brugia malayi

Other Pathogens:

Species	Viewmode
Babesia bovis
Candida albicans
Cryptosporidium hominis
Cryptosporidium parvum
Leishmania braziliensis
Leishmania donovani
Leishmania infantum
Leishmania mexicana
Neospora caninum
Plasmodium berghei
Plasmodium knowlesi
Plasmodium yoelii
Schistosoma japonicum
Trypanosoma brucei gambiense
Trypanosoma congolense
Theileria parva

Compound Layer

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Clustering layers

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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

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	Carboxylesterase family protein	0.0047	0.0323	0.0571
Loa Loa (eye worm)	hypothetical protein	0.0042	0.026	0.0548
Giardia lamblia	Histone deacetylase	0.04	0.4742	0.5
Brugia malayi	Histone deacetylase family protein	0.0114	0.1162	0.2361
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1726	0.364
Loa Loa (eye worm)	histone deacetylase 1	0.04	0.4742	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0279	0.3224	0.68
Echinococcus multilocularis	histone deacetylase 7	0.0114	0.1162	0.114
Trichomonas vaginalis	histone deacetylase, putative	0.04	0.4742	1
Echinococcus multilocularis	carbonic anhydrase	0.0173	0.1898	0.1878
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.0372	0.4391	0.9253
Echinococcus multilocularis	carbonic anhydrase	0.0173	0.1898	0.1878
Echinococcus multilocularis	histone deacetylase 6	0.0114	0.1162	0.114
Echinococcus granulosus	carbonic anhydrase	0.0173	0.1898	0.3971
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0047	0.0323	0.5
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0037	0.0198	0.0367
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.04	0.4742	1
Schistosoma mansoni	hypothetical protein	0.0173	0.1898	0.4003
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.04	0.4742	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0323	0.0681
Brugia malayi	Carboxylesterase family protein	0.0047	0.0323	0.0571
Echinococcus multilocularis	acetylcholinesterase	0.0279	0.3224	0.3208
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0047	0.0323	0.0299
Echinococcus multilocularis	histone deacetylase 6	0.0114	0.1162	0.114
Echinococcus multilocularis	serotonin receptor	0.0134	0.1414	0.1392
Schistosoma mansoni	histone deacetylase 4 5	0.0114	0.1162	0.245
Loa Loa (eye worm)	hypothetical protein	0.0279	0.3224	0.68
Trichomonas vaginalis	histone deacetylase, putative	0.04	0.4742	1
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0372	0.4391	0.9262
Trichomonas vaginalis	histone deacetylase, putative	0.04	0.4742	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0372	0.4391	0.9253
Entamoeba histolytica	histone deacetylase, putative	0.04	0.4742	0.5
Schistosoma mansoni	carbonic anhydrase-related	0.0173	0.1898	0.4003
Echinococcus multilocularis	para nitrobenzyl esterase	0.0047	0.0323	0.0299
Trypanosoma brucei	histone deacetylase 1	0.04	0.4742	1
Leishmania major	carbonic anhydrase-like protein	0.0372	0.4391	0.9022
Loa Loa (eye worm)	hypothetical protein	0.004	0.0229	0.0484
Brugia malayi	Histone deacetylase family protein	0.0114	0.1162	0.2361
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.04	0.4742	1
Loa Loa (eye worm)	carboxylesterase	0.0279	0.3224	0.68
Brugia malayi	histone deacetylase 3 (HD3)	0.04	0.4742	1
Schistosoma mansoni	gliotactin	0.0047	0.0323	0.0681
Schistosoma mansoni	bromodomain containing protein	0.0065	0.0552	0.1163
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.1726	0.1706
Echinococcus granulosus	carbonic anhydrase	0.0173	0.1898	0.3971
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0323	0.0681
Echinococcus granulosus	carboxylesterase 5A	0.0279	0.3224	0.6784
Brugia malayi	Carboxylesterase family protein	0.0047	0.0323	0.0571
Echinococcus granulosus	histone deacetylase	0.0114	0.1162	0.2411
Plasmodium vivax	histone deacetylase 1, putative	0.04	0.4742	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0372	0.4391	0.9262
Loa Loa (eye worm)	hypothetical protein	0.0279	0.3224	0.68
Loa Loa (eye worm)	histone deacetylase 11	0.0114	0.1162	0.245
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1898	0.4003
Echinococcus granulosus	neuroligin	0.0047	0.0323	0.0633
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.0323	0.0681
Plasmodium falciparum	carbonic anhydrase	0.0173	0.1898	0.2056
Loa Loa (eye worm)	carboxylesterase	0.0047	0.0323	0.0681
Echinococcus multilocularis	acetylcholinesterase	0.0279	0.3224	0.3208
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0062	0.0505	0.0482
Brugia malayi	Histone deacetylase 1	0.04	0.4742	1
Plasmodium falciparum	histone deacetylase 1	0.04	0.4742	1
Toxoplasma gondii	histone deacetylase HDAC2	0.04	0.4742	1
Trichomonas vaginalis	histone deacetylase, putative	0.04	0.4742	1
Leishmania major	histone deacetylase, putative	0.04	0.4742	1
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0648	0.1366
Brugia malayi	histone deacetylase 11	0.0114	0.1162	0.2361
Loa Loa (eye worm)	histone deacetylase 7A	0.0114	0.1162	0.245
Schistosoma mansoni	biogenic amine (5HT) receptor	0.0134	0.1414	0.2981
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0372	0.4391	0.9022
Echinococcus granulosus	acetylcholinesterase	0.0279	0.3224	0.6784
Echinococcus multilocularis	histone deacetylase 1	0.04	0.4742	0.4729
Echinococcus granulosus	acetylcholinesterase	0.0279	0.3224	0.6784
Brugia malayi	Muscleblind-like protein	0.0159	0.1726	0.3565
Echinococcus multilocularis	histone deacetylase	0.0114	0.1162	0.114
Echinococcus granulosus	carbonic anhydrase	0.0173	0.1898	0.3971
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1726	0.364
Echinococcus multilocularis	histone deacetylase 3	0.04	0.4742	0.4729
Echinococcus multilocularis	neuroligin	0.0047	0.0323	0.0299
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0323	0.0681
Schistosoma mansoni	histone deacetylase hda2	0.0114	0.1162	0.245
Leishmania major	histone deacetylase, putative	0.04	0.4742	1
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0025	0.0052
Toxoplasma gondii	histone deacetylase HDAC3	0.04	0.4742	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0037	0.0198	0.0174
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0173	0.1898	0.3932
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.0173	0.1898	0.4003
Schistosoma mansoni	acetylcholinesterase	0.0047	0.0323	0.0681
Schistosoma mansoni	histone deacetylase	0.04	0.4742	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.0047	0.0323	0.5
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0323	0.0681
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0047	0.0323	0.0681
Trichomonas vaginalis	histone deacetylase, putative	0.04	0.4742	1
Echinococcus granulosus	biogenic amine 5HT receptor	0.0134	0.1414	0.2945
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0047	0.0323	0.5
Echinococcus multilocularis	muscleblind protein	0.0159	0.1726	0.1706
Schistosoma mansoni	histone deacetylase	0.04	0.4742	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.04	0.4742	1
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1414	0.2981
Echinococcus multilocularis	carbonic anhydrase	0.0173	0.1898	0.1878
Echinococcus multilocularis	carbonic anhydrase II	0.0372	0.4391	0.4378
Loa Loa (eye worm)	histone deacetylase 3	0.04	0.4742	1
Trichomonas vaginalis	histone deacetylase, putative	0.04	0.4742	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.04	0.4742	1
Toxoplasma gondii	hypothetical protein	0.0173	0.1898	0.2056
Loa Loa (eye worm)	carbonic anhydrase 3	0.0372	0.4391	0.9262
Echinococcus granulosus	para nitrobenzyl esterase	0.0047	0.0323	0.0633
Brugia malayi	Bromodomain containing protein	0.0078	0.0703	0.1382
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0323	0.0681
Echinococcus granulosus	histone deacetylase 8	0.0114	0.1162	0.2411
Echinococcus multilocularis	serotonin receptor	0.0134	0.1414	0.1392
Echinococcus multilocularis	histone deacetylase 8	0.0114	0.1162	0.114
Echinococcus granulosus	histone deacetylase 6	0.0114	0.1162	0.2411
Loa Loa (eye worm)	hypothetical protein	0.0134	0.1414	0.2981
Echinococcus multilocularis	carboxylesterase 5A	0.0279	0.3224	0.3208
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.0323	0.0681
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0114	0.1162	1
Echinococcus granulosus	histone deacetylase 6	0.0114	0.1162	0.2411
Brugia malayi	Bromodomain containing protein	0.004	0.0228	0.037
Schistosoma mansoni	histone deacetylase hda2	0.0114	0.1162	0.245
Schistosoma mansoni	carbonic anhydrase	0.0173	0.1898	0.4003
Echinococcus granulosus	muscleblind protein	0.0159	0.1726	0.3607
Brugia malayi	Carboxylesterase family protein	0.0279	0.3224	0.6763
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0173	0.1898	0.3932
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0062	0.0505	0.1019
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0047	0.0323	0.0299
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0279	0.3224	0.68
Loa Loa (eye worm)	hypothetical protein	0.0114	0.1162	0.245
Echinococcus granulosus	histone deacetylase 6	0.0114	0.1162	0.2411
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.0173	0.1898	0.3932
Brugia malayi	histone deacetylase 1 (HD1)	0.04	0.4742	1
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1898	0.4003
Schistosoma mansoni	carbonic anhydrase-related	0.0173	0.1898	0.4003
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0323	0.0681
Trypanosoma brucei	carbonic anhydrase-like protein	0.0372	0.4391	0.9022
Schistosoma mansoni	carbonic anhydrase-related	0.0173	0.1898	0.4003
Echinococcus granulosus	histone deacetylase 1	0.04	0.4742	1
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.0372	0.4391	0.9262
Schistosoma mansoni	histone deacetylase 1 2 3	0.0114	0.1162	0.245
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0047	0.0323	0.0633
Schistosoma mansoni	BC026374 protein (S09 family)	0.0047	0.0323	0.0681
Brugia malayi	Carboxylesterase family protein	0.0047	0.0323	0.0571
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0047	0.0323	0.0681
Brugia malayi	hypothetical protein	0.0047	0.0323	0.0571
Brugia malayi	Carboxylesterase family protein	0.0279	0.3224	0.6763
Loa Loa (eye worm)	hypothetical protein	0.0173	0.1898	0.4003
Loa Loa (eye worm)	hypothetical protein	0.04	0.4742	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0285	0.06
Echinococcus granulosus	carbonic anhydrase II	0.0372	0.4391	0.9258
Echinococcus granulosus	histone deacetylase 7	0.0114	0.1162	0.2411
Loa Loa (eye worm)	carboxylesterase	0.0047	0.0323	0.0681
Echinococcus granulosus	histone deacetylase 3	0.04	0.4742	1
Loa Loa (eye worm)	histone deacetylase	0.0114	0.1162	0.245
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0047	0.0323	0.5
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0173	0.1898	0.3932
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0323	0.0681
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.0173	0.1898	0.3932
Echinococcus granulosus	BC026374 protein S09 family	0.0047	0.0323	0.0633
Echinococcus multilocularis	histone deacetylase 6	0.0114	0.1162	0.114
Schistosoma mansoni	histone deacetylase 4 5	0.0114	0.1162	0.245
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.0372	0.4391	0.9022

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

ChEMBL: CHEMBL2377121

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.

Detailed information for compound 1763508