TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 402.477 | Formula: C23H28F2N2O2
H donors: 1 H acceptors: 2 LogP: 3.91 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCN(C(=O)C1=C(C)NC2=C(C1c1cccc(c1F)F)C(=O)C(CC2)(C)C)CC
InChi: 1S/C23H28F2N2O2/c1-6-27(7-2)22(29)17-13(3)26-16-11-12-23(4,5)21(28)19(16)18(17)14-9-8-10-15(24)20(14)25/h8-10,18,26H,6-7,11-12H2,1-5H3
InChiKey: RIRIGFKIQTXSRW-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
Trypanosoma cruzi	GUP1, putative	0.0733	0.0827	0.5
Brugia malayi	diacylglycerol acyltransferase	0.0733	0.0827	0.0794
Schistosoma mansoni	sterol O-acyltransferase 1	0.0733	0.0827	0.0827
Trichomonas vaginalis	conserved hypothetical protein	0.0733	0.0827	1
Trichomonas vaginalis	porcupine, putative	0.0733	0.0827	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0072	0.0048	0.0568
Brugia malayi	MBOAT family protein	0.0733	0.0827	0.0794
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0733	0.0827	0.0794
Trypanosoma brucei	glycerol uptake protein, putative	0.0733	0.0827	0.5
Loa Loa (eye worm)	hhat protein	0.0733	0.0827	0.0794
Schistosoma mansoni	zinc finger protein	0.8501	1	1
Schistosoma mansoni	vesicular amine transporter	0.0063	0.0036	0.0036
Loa Loa (eye worm)	hypothetical protein	0.0733	0.0827	0.0794
Schistosoma mansoni	tyrosine kinase	0.0299	0.0316	0.0316
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0733	0.0827	0.0827
Toxoplasma gondii	hypothetical protein	0.0733	0.0827	0.5
Loa Loa (eye worm)	MBOAT family protein	0.0733	0.0827	0.0794
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0733	0.0827	0.0794
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0733	0.0827	0.0794
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0498	0.055	0.0516
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0733	0.0827	0.0794
Treponema pallidum	hypothetical protein	0.0062	0.0035	0.016
Echinococcus granulosus	zinc finger protein	0.7768	0.9135	0.9132
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0299	0.0316	0.028
Trypanosoma cruzi	glycerol uptake protein, putative	0.0733	0.0827	0.5
Entamoeba histolytica	hypothetical protein, conserved	0.0733	0.0827	0.5
Leishmania major	glycerol uptake protein, putative	0.0733	0.0827	0.5
Trypanosoma cruzi	GUP1, putative	0.0733	0.0827	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.0733	0.0827	0.5
Loa Loa (eye worm)	MBOAT family protein	0.0733	0.0827	0.0794
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0112	0.0095	0.2678
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0063	0.0036	0.0036
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0733	0.0827	0.0794
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0733	0.0827	0.0794
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0733	0.0827	0.0827
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0066	0.003
Entamoeba histolytica	vacuolar protein sorting 26	0.0733	0.0827	0.5
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0733	0.0827	0.0794
Loa Loa (eye worm)	hypothetical protein	0.0088	0.0066	0.003
Echinococcus multilocularis	neuroglian	0.0079	0.0055	0.0019
Loa Loa (eye worm)	TK protein kinase	0.0315	0.0335	0.0299
Mycobacterium ulcerans	carbon monoxide dehydrogenase	0.0251	0.0259	1
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (medium chain)	0.0128	0.0113	0.5229
Entamoeba histolytica	hypothetical protein	0.0733	0.0827	0.5
Loa Loa (eye worm)	hypothetical protein	0.0733	0.0827	0.0794
Leishmania major	glycerol uptake protein, putative	0.0733	0.0827	0.5
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0063	0.0036	0.0036
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0733	0.0827	0.0794
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0299	0.0316	0.028
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0733	0.0827	0.0827
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0733	0.0827	0.0794
Echinococcus multilocularis	roundabout 2	0.0088	0.0066	0.003
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0733	0.0827	0.0794
Trypanosoma cruzi	glycerol uptake protein, putative	0.0733	0.0827	0.5
Echinococcus multilocularis	zinc finger protein	0.7768	0.9135	0.9132
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0733	0.0827	0.0794
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0733	0.0827	0.5
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxL_2	0.0179	0.0173	0.618
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0299	0.0316	0.028
Echinococcus granulosus	twitchin	0.0079	0.0055	0.0019
Loa Loa (eye worm)	hhat protein	0.0733	0.0827	0.0794
Leishmania major	glycerol uptake protein, putative	0.0733	0.0827	0.5
Leishmania major	glycerol uptake protein, putative	0.0733	0.0827	0.5
Leishmania major	glycerol uptake protein, putative	0.0733	0.0827	0.5
Echinococcus multilocularis	sterol O acyltransferase 1	0.0733	0.0827	0.0794
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0299	0.0316	0.028
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.8501	1	1
Loa Loa (eye worm)	hypothetical protein	0.0733	0.0827	0.0794
Trichomonas vaginalis	conserved hypothetical protein	0.0733	0.0827	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase large chain CoxL	0.0179	0.0173	0.618
Onchocerca volvulus		0.0733	0.0827	1
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0733	0.0827	0.0827
Mycobacterium ulcerans	carbon monoxyde dehydrogenase small chain CoxS	0.0072	0.0048	0.0568
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0733	0.0827	0.5
Brugia malayi	MBOAT family protein	0.0733	0.0827	0.0794
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.8501	1	1
Leishmania major	hypothetical protein, conserved	0.0733	0.0827	0.5
Loa Loa (eye worm)	MBOAT family protein	0.8501	1	1
Schistosoma mansoni	hypothetical protein	0.0733	0.0827	0.0827
Brugia malayi	MBOAT family protein	0.0733	0.0827	0.0794
Treponema pallidum	quinoline 2-oxidoreductase	0.006	0.0033	0.0138
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0733	0.0827	0.5
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0733	0.0827	0.5
Echinococcus granulosus	neuroglian	0.0079	0.0055	0.0019
Treponema pallidum	alginate O-acetylation protein (algI)	0.0733	0.0827	1
Loa Loa (eye worm)	hypothetical protein	0.0072	0.0047	0.0011
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0733	0.0827	0.0794
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0733	0.0827	0.0794
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0733	0.0827	0.5
Echinococcus granulosus	roundabout 2	0.0088	0.0066	0.003
Schistosoma mansoni	nephrin	0.0079	0.0055	0.0055
Trypanosoma brucei	glycerol uptake protein, putative	0.0733	0.0827	0.5
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0733	0.0827	1
Mycobacterium ulcerans	carbon monoxyde dehydrogenase medium chain CoxM	0.0128	0.0113	0.3502
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0733	0.0827	0.5
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0733	0.0827	0.0794
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0315	0.0335	0.0299
Schistosoma mansoni	cell adhesion molecule	0.0072	0.0047	0.0047
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0733	0.0827	0.5
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0733	0.0827	0.0827
Brugia malayi	MBOAT family protein	0.0733	0.0827	0.0794
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0733	0.0827	0.0827
Mycobacterium tuberculosis	Probable carbon monoxyde dehydrogenase (large chain)	0.0179	0.0173	1
Echinococcus granulosus	sterol O acyltransferase 1	0.0733	0.0827	0.0794
Loa Loa (eye worm)	hypothetical protein	0.0733	0.0827	0.0794
Brugia malayi	Hhat protein	0.0733	0.0827	0.0794
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0498	0.055	0.0516
Trichomonas vaginalis	conserved hypothetical protein	0.0733	0.0827	1
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0733	0.0827	0.0794
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0733	0.0827	0.0794
Onchocerca volvulus	Tyrosine kinase homolog	0.0442	0.0484	0.0727
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0072	0.0047	0.0011
Mycobacterium ulcerans	aerobic-type carbon monoxide dehydrogenase subunit CoxM_2	0.0128	0.0113	0.3502

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: CHEMBL2260904

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 1843036