TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 272.385 | Formula: C17H24N2O
H donors: 1 H acceptors: 1 LogP: 1.11 Rotable bonds: 0
Rule of 5 violations (Lipinski): 1
SMILES: C[C@@H]1CC2=C3NC(=O)CC[C@@]43C[C@]3(C1)[C@H]2C[C@@H]4CN3C
InChi: 1S/C17H24N2O/c1-10-5-12-13-6-11-8-19(2)17(13,7-10)9-16(11)4-3-14(20)18-15(12)16/h10-11,13H,3-9H2,1-2H3,(H,18,20)/t10-,11-,13+,16-,17-/m1/s1
InChiKey: SDROKAVMAWUXTF-FEJVXNBFSA-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
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1603	0.1567
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0349	0.1603	0.1567
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.003	0.0042	0.0042
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.003	0.0042	0.0042
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.003	0.0042	0.0042
Echinococcus multilocularis	para nitrobenzyl esterase	0.0349	0.1603	0.1603
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0043	0.0107	0.0065
Brugia malayi	hypothetical protein	0.0349	0.1603	0.1567
Echinococcus multilocularis	acetylcholinesterase	0.2066	1	1
Echinococcus granulosus	carboxylesterase 5A	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Echinococcus multilocularis	neuroligin	0.0349	0.1603	0.1603
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Echinococcus multilocularis	carboxylesterase 5A	0.2066	1	1
Echinococcus granulosus	neuroligin	0.0349	0.1603	0.1603
Onchocerca volvulus		0.0349	0.1603	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.003	0.0042	0.5
Giardia lamblia	Aldose reductase	0.003	0.0042	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.0107	0.0065
Brugia malayi	Carboxylesterase family protein	0.0349	0.1603	0.1567
Schistosoma mansoni	BC026374 protein (S09 family)	0.0349	0.1603	0.1567
Trichomonas vaginalis	spcc417.12 protein, putative	0.0349	0.1603	1
Echinococcus granulosus	acetylcholinesterase	0.2066	1	1
Onchocerca volvulus		0.0349	0.1603	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0043	0.0107	0.0107
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.003	0.0042	0.0042
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0349	0.1603	1
Leishmania major	prostaglandin f synthase, putative	0.003	0.0042	0.5
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0349	0.1603	0.1603
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Trypanosoma cruzi	aldo-keto reductase	0.003	0.0042	0.5
Echinococcus multilocularis	aldo keto reductase	0.003	0.0042	0.0042
Echinococcus multilocularis	aldo keto reductase	0.003	0.0042	0.0042
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.003	0.0042	0.0042
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0349	0.1603	1
Loa Loa (eye worm)	hypothetical protein	0.2066	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0043	0.0107	0.0107
Schistosoma mansoni	acetylcholinesterase	0.0349	0.1603	0.1567
Echinococcus multilocularis	aldo keto reductase	0.003	0.0042	0.0042
Brugia malayi	Carboxylesterase family protein	0.0349	0.1603	0.1567
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Entamoeba histolytica	aldose reductase, putative	0.003	0.0042	0.5
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.003	0.0042	0.0042
Echinococcus granulosus	acetylcholinesterase	0.2066	1	1
Schistosoma mansoni	gliotactin	0.0349	0.1603	0.1567
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0349	0.1603	1
Loa Loa (eye worm)	carboxylesterase	0.0349	0.1603	0.1567
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0349	0.1603	0.1603
Trypanosoma brucei	aldo-keto reductase, putative	0.003	0.0042	0.5
Brugia malayi	Carboxylesterase family protein	0.0349	0.1603	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1603	0.1567
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.2066	1	1
Onchocerca volvulus		0.0349	0.1603	1
Loa Loa (eye worm)	carboxylesterase	0.0349	0.1603	0.1567
Echinococcus multilocularis	acetylcholinesterase	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1603	0.1567
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0043	0.0107	0.0065
Entamoeba histolytica	aldose reductase, putative	0.003	0.0042	0.5
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.003	0.0042	0.5
Echinococcus granulosus	aldo keto reductase	0.003	0.0042	0.0042
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Brugia malayi	Carboxylesterase family protein	0.0349	0.1603	0.1567
Loa Loa (eye worm)	carboxylesterase	0.2066	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.003	0.0042	0.0042
Mycobacterium ulcerans	carboxylesterase, LipT	0.0349	0.1603	1
Echinococcus granulosus	hypothetical protein	0.003	0.0042	0.0042
Echinococcus granulosus	BC026374 protein S09 family	0.0349	0.1603	0.1603
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Entamoeba histolytica	aldose reductase, putative	0.003	0.0042	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0349	0.1603	0.1603
Echinococcus granulosus	aldo keto reductase	0.003	0.0042	0.0042
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.0107	0.0065
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.003	0.0042	0.0042
Onchocerca volvulus		0.0349	0.1603	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0043	0.0107	0.0107
Giardia lamblia	Aldose reductase	0.003	0.0042	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Echinococcus multilocularis	aldo keto reductase	0.003	0.0042	0.0042
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1603	0.1567
Leishmania major	aldo-keto reductase-like protein	0.003	0.0042	0.5
Trypanosoma brucei	prostaglandin f synthase	0.003	0.0042	0.5
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0349	0.1603	1
Onchocerca volvulus		0.0349	0.1603	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.003	0.0042	0.0042
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0349	0.1603	0.1567
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Echinococcus granulosus	aldo keto reductase	0.003	0.0042	0.0042
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0043	0.0107	0.0065
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0043	0.0107	0.0107
Toxoplasma gondii	aldose reductase, putative	0.003	0.0042	0.5
Brugia malayi	Carboxylesterase family protein	0.2066	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.003	0.0042	0.5
Loa Loa (eye worm)	acetylcholinesterase 1	0.2066	1	1
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1603	0.1567
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1603	0.1567
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0349	0.1603	0.1567
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.003	0.0042	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0349	0.1603	0.1567
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.003	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0349	0.1603	0.1567
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0349	0.1603	0.1603

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: CHEMBL1644376

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1464292