TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 327.422 | Formula: C16H26NO2PS
H donors: 1 H acceptors: 0 LogP: 5.8 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC[C@@H]([C@H]1COP(=S)(N1)Oc1ccc(cc1C(C)C)C)C
InChi: 1S/C16H26NO2PS/c1-6-13(5)15-10-18-20(21,17-15)19-16-8-7-12(4)9-14(16)11(2)3/h7-9,11,13,15H,6,10H2,1-5H3,(H,17,21)/t13-,15+,20?/m0/s1
InChiKey: PVTUGROUAWPLES-VOXKTVDUSA-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
Trichomonas vaginalis	conserved hypothetical protein	0.0292	0	0.5
Echinococcus multilocularis	caspase 3, apoptosis cysteine peptidase	0.1092	0.642	0.642
Plasmodium falciparum	metacaspase 1	0.0292	0	0.5
Echinococcus granulosus	caspase 3	0.08	0.4077	0.4077
Trypanosoma brucei	Metacaspase-4	0.0292	0	0.5
Trypanosoma cruzi	metacaspase, putative	0.0292	0	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0292	0	0.5
Schistosoma mansoni	caspase-3 (C14 family)	0.1092	0.642	0.642
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0854	0.4509	0.6977
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.1097	0.6462	0.6462
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0292	0	0.5
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0854	0.4509	0.4509
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.0854	0.4509	0.4509
Plasmodium vivax	hypothetical protein, conserved	0.0292	0	0.5
Plasmodium falciparum	metacaspase-like protein	0.0292	0	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0292	0	0.5
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0292	0	0.5
Trypanosoma brucei	metacaspase 5, putative	0.0292	0	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0292	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0292	0	0.5
Trypanosoma cruzi	metacaspase, putative	0.0292	0	0.5
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.0854	0.4509	0.4509
Trypanosoma cruzi	metacaspase, putative	0.0292	0	0.5
Trypanosoma cruzi	metacaspase, putative	0.0292	0	0.5
Trypanosoma brucei	metacaspase MCA2	0.0292	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.1097	0.6462	0.6462
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.1538	1	1
Trypanosoma cruzi	metacaspase 5, putative	0.0292	0	0.5
Echinococcus granulosus	G protein coupled receptor kinase 1	0.1295	0.8047	0.8047
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.0854	0.4509	0.4509
Echinococcus multilocularis	G protein coupled receptor kinase 1	0.1295	0.8047	0.8047
Schistosoma mansoni	serine/threonine protein kinase	0.1538	1	1
Onchocerca volvulus	Cell death protein 3 homolog	0.0292	0	0.5
Leishmania major	metacaspase, putative	0.0292	0	0.5
Trypanosoma cruzi	metacaspase 5, putative	0.0292	0	0.5
Echinococcus granulosus	caspase 3 apoptosis cysteine peptidase	0.1092	0.642	0.642
Schistosoma mansoni	caspase-7 (C14 family)	0.1092	0.642	0.642
Toxoplasma gondii	ICE family protease (caspase) p20 domain-containing protein	0.0292	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0292	0	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0292	0	0.5
Echinococcus multilocularis	beta adrenergic receptor kinase	0.1538	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0292	0	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0292	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.1538	1	1
Plasmodium vivax	metacaspase 1, putative	0.0292	0	0.5
Echinococcus multilocularis	caspase 3	0.08	0.4077	0.4077
Echinococcus granulosus	caspase	0.1092	0.642	0.642
Echinococcus multilocularis	caspase	0.1092	0.642	0.642
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0292	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0292	0	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0292	0	0.5
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.1097	0.6462	1
Trypanosoma brucei	metacaspase	0.0292	0	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0292	0	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0292	0	0.5
Trypanosoma brucei	metacaspase MCA3	0.0292	0	0.5
Trichomonas vaginalis	Clan CD, family C14, metacaspase-like cysteine peptidase	0.0292	0	0.5

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: CHEMBL2288296

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 1798618