TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 428.523 | Formula: C27H28N2O3
H donors: 1 H acceptors: 2 LogP: 4.93 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc2c(c1)[nH]c(=O)c(c2)CN(C(=O)c1ccc(cc1)C(C)(C)C)Cc1ccco1
InChi: 1S/C27H28N2O3/c1-18-7-8-20-15-21(25(30)28-24(20)14-18)16-29(17-23-6-5-13-32-23)26(31)19-9-11-22(12-10-19)27(2,3)4/h5-15H,16-17H2,1-4H3,(H,28,30)
InChiKey: XTYJMYAPXMJMPN-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
Echinococcus granulosus	alpha 13 mannosyl glycoprotein	0.0597	0.0735	0.0727
Schistosoma mansoni	zinc finger protein	0.0163	0.0164	0.0156
Giardia lamblia	Methionyl-tRNA synthetase	0.0053	0.002	0.5
Trichomonas vaginalis	porcupine, putative	0.0163	0.0164	0.2817
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0163	0.0164	0.0156
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0971	0.1228	0.122
Brugia malayi	Hhat protein	0.0163	0.0164	0.0164
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0163	0.0164	0.0156
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0971	0.1228	0.5954
Leishmania major	hypothetical protein, conserved	0.0163	0.0164	0.0712
Brugia malayi	Heterochromatin protein 1	0.0068	0.004	0.004
Schistosoma mansoni	hypothetical protein	0.0353	0.0415	0.0407
Echinococcus multilocularis	methionine tRNA synthetase	0.0053	0.002	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0597	0.0735	0.0735
Leishmania major	diacylglycerol acyltransferase, putative	0.1594	0.2048	1
Mycobacterium ulcerans	hypothetical protein	0.0353	0.0415	1
Loa Loa (eye worm)	MBOAT family protein	0.0163	0.0164	0.0164
Schistosoma mansoni	beta-12-n-acetylglucosaminyltransferase II	0.7633	1	1
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0353	0.0415	0.1945
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.1594	0.2048	1
Leishmania major	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Echinococcus multilocularis	chromobox protein 1	0.0068	0.004	0.0031
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.004	0.004
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.004	0.0677
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.1594	0.2048	0.2048
Echinococcus granulosus	sterol O acyltransferase 1	0.0163	0.0164	0.0156
Trypanosoma brucei	diacylglycerol acyltransferase, putative	0.0353	0.0415	0.1945
Loa Loa (eye worm)	hypothetical protein	0.7633	1	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0004	0.0066
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0163	0.0164	0.0164
Entamoeba histolytica	hypothetical protein, conserved	0.0163	0.0164	0.5
Schistosoma mansoni	methionine-tRNA synthetase	0.0053	0.002	0.0012
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0163	0.0164	0.0156
Echinococcus granulosus	chromobox protein 1	0.0068	0.004	0.0031
Echinococcus multilocularis	alpha 1,3 mannosyl glycoprotein	0.0597	0.0735	0.0727
Trichomonas vaginalis	conserved hypothetical protein	0.0482	0.0584	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0163	0.0164	0.0156
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0163	0.0164	0.0156
Leishmania major	hypothetical protein, unknown function,protein, unknown function	0.0353	0.0415	0.1945
Toxoplasma gondii	hypothetical protein	0.0163	0.0164	0.0712
Loa Loa (eye worm)	MBOAT family protein	0.0163	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0202	0.0216	0.0216
Brugia malayi	diacylglycerol acyltransferase	0.0971	0.1228	0.1228
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.1594	0.2048	0.2042
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0163	0.0164	0.0156
Leishmania major	diacylglycerol acyltransferase, putative	0.0353	0.0415	0.1945
Trichomonas vaginalis	conserved hypothetical protein	0.0482	0.0584	1
Trichomonas vaginalis	methionine-tRNA synthetase, putative	0.0053	0.002	0.0343
Schistosoma mansoni	diacylglycerol O-acyltransferase	0.0353	0.0415	0.0407
Schistosoma mansoni	sterol O-acyltransferase 1	0.0163	0.0164	0.0156
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0971	0.1228	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0004	0.0066
Loa Loa (eye worm)	MBOAT family protein	0.0163	0.0164	0.0164
Echinococcus granulosus	methionine tRNA synthetase	0.0053	0.002	0.0012
Schistosoma mansoni	diacylglycerol O-acyltransferase	0.0353	0.0415	0.0407
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0008	0.0008
Trypanosoma cruzi	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Trypanosoma cruzi	GUP1, putative	0.0163	0.0164	0.0712
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0971	0.1228	0.5954
Trypanosoma cruzi	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0163	0.0164	0.0156
Loa Loa (eye worm)	methionyl-tRNA synthetase	0.0053	0.002	0.002
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0971	0.1228	0.1228
Trypanosoma brucei	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Trypanosoma cruzi	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Schistosoma mansoni	hypothetical protein	0.0163	0.0164	0.0156
Brugia malayi	GNT-I family protein	0.0597	0.0735	0.0735
Loa Loa (eye worm)	hhat protein	0.0163	0.0164	0.0164
Loa Loa (eye worm)	hhat protein	0.0163	0.0164	0.0164
Trypanosoma cruzi	GUP1, putative	0.0163	0.0164	0.0712
Toxoplasma gondii	diacylglycerol acyltransferase	0.0353	0.0415	0.1945
Schistosoma mansoni	alpha-13-mannosyl-glycoprotein beta-1 2-n-acetylglucosaminyltransferase	0.0597	0.0735	0.0727
Wolbachia endosymbiont of Brugia malayi	methionyl-tRNA synthetase	0.0053	0.002	0.5
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0971	0.1228	1
Brugia malayi	methionyl-tRNA synthetase	0.0053	0.002	0.002
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0353	0.0415	0.1945
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0163	0.0164	0.0156
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.0164	0.2817
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0971	0.1228	0.122
Brugia malayi	MBOAT family protein	0.0163	0.0164	0.0164
Brugia malayi	Glycosylation related protein 12, isoform	0.0202	0.0216	0.0216
Toxoplasma gondii	hypothetical protein	0.0188	0.0197	0.0873
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0163	0.0164	0.0156
Leishmania major	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0163	0.0164	0.0156
Echinococcus granulosus	chromobox protein 1	0.0068	0.004	0.0031
Treponema pallidum	alginate O-acetylation protein (algI)	0.0163	0.0164	0.5
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0163	0.0164	0.0156
Brugia malayi	MBOAT family protein	0.0163	0.0164	0.0164
Schistosoma mansoni	chromobox protein	0.0068	0.004	0.0031
Onchocerca volvulus		0.0163	0.0164	0.0803
Brugia malayi	MBOAT family protein	0.0163	0.0164	0.0164
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0164	0.0164
Trichomonas vaginalis	conserved hypothetical protein	0.0482	0.0584	1
Entamoeba histolytica	hypothetical protein	0.0163	0.0164	0.5
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0353	0.0415	0.1945
Loa Loa (eye worm)	hypothetical protein	0.0807	0.1013	0.1013
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.004	0.0677
Echinococcus granulosus	alpha 16 mannosyl glycoprotein	0.7633	1	1
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0163	0.0164	0.0156
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0163	0.0164	0.0156
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.0244	1
Trichomonas vaginalis	conserved hypothetical protein	0.0482	0.0584	1
Trypanosoma brucei	diacylglycerol acyltransferase, putative	0.1594	0.2048	1
Echinococcus multilocularis	sterol O acyltransferase 1	0.0163	0.0164	0.0156
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.0164	0.2817
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0163	0.0164	0.0156
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0163	0.0164	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0294	0.0336	0.5761
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0004	0.0019
Leishmania major	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0971	0.1228	0.122
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0163	0.0164	0.0156
Toxoplasma gondii	mono- or diacylglycerol acyltransferase	0.0353	0.0415	0.1945
Brugia malayi	diacylglycerol acyltransferase family protein	0.1594	0.2048	0.2048
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0164	0.0164
Entamoeba histolytica	vacuolar protein sorting 26	0.0163	0.0164	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0163	0.0164	0.2817
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0163	0.0164	0.5
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0163	0.0164	0.0156
Leishmania major	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Onchocerca volvulus		0.1594	0.2048	1
Trichomonas vaginalis	conserved hypothetical protein	0.0482	0.0584	1
Leishmania major	diacylglycerol acyltransferase, putative	0.0353	0.0415	0.1945
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0008	0.0008
Toxoplasma gondii	Alpha-1,3-mannosyl-glycoprotein 2-beta-N-acetylglucosaminyltransferase	0.0202	0.0216	0.0966
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0164	0.0164
Brugia malayi	MBOAT family protein	0.0163	0.0164	0.0164
Trypanosoma brucei	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Schistosoma mansoni	chromobox protein	0.0068	0.004	0.0031
Loa Loa (eye worm)	hypothetical protein	0.0597	0.0735	0.0735
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0163	0.0164	0.2817
Echinococcus multilocularis	chromobox protein 1	0.0068	0.004	0.0031
Brugia malayi	MBOAT family protein	0.0163	0.0164	0.0164
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0163	0.0164	0.0156
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.1594	0.2048	1
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0163	0.0164	0.0156
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0163	0.0164	0.5
Loa Loa (eye worm)	hypothetical protein	0.0163	0.0164	0.0164
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0163	0.0164	0.0156
Trichomonas vaginalis	conserved hypothetical protein	0.0482	0.0584	1
Echinococcus multilocularis	alpha 1,6 mannosyl glycoprotein	0.7633	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0482	0.0584	1
Leishmania major	glycerol uptake protein, putative	0.0163	0.0164	0.0712
Mycobacterium leprae	Probable methionyl-tRNA synthase MetS	0.0053	0.002	0.5
Toxoplasma gondii	dgat2l1-prov protein	0.1594	0.2048	1
Trichomonas vaginalis	conserved hypothetical protein	0.0482	0.0584	1
Trypanosoma cruzi	diacylglycerol acyltransferase, putative	0.0353	0.0415	0.1945

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: CHEMBL1645075

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 1463180