TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 395.452 | Formula: C22H25N3O4
H donors: 2 H acceptors: 4 LogP: 3.57 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: OC(=O)C[C@@H]1CC[C@H](CC1)c1ccc(cc1)N1CCOc2c(C1=O)c(N)ncc2
InChi: 1S/C22H25N3O4/c23-21-20-18(9-10-24-21)29-12-11-25(22(20)28)17-7-5-16(6-8-17)15-3-1-14(2-4-15)13-19(26)27/h5-10,14-15H,1-4,11-13H2,(H2,23,24)(H,26,27)/t14-,15-
InChiKey: UVRQFGJPJNQVEI-SHTZXODSSA-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	diacylglycerol O-acyltransferase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Theileria parva	diacylglycerol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Cryptosporidium hominis	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	Get druggable targets OG5_128200	All targets in OG5_128200
Schistosoma japonicum	Diacylglycerol O-acyltransferase 1, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Neospora caninum	sterol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Brugia malayi	diacylglycerol acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Cryptosporidium parvum	diacylglycerol acyltransferase 1	Get druggable targets OG5_128200	All targets in OG5_128200
Neospora caninum	diacylglycerol acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Candida albicans	Acyl-CoA cholesterol acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	Get druggable targets OG5_128200	All targets in OG5_128200
Babesia bovis	diacylglycerol acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Loa Loa (eye worm)	diacylglycerol acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Schistosoma japonicum	Diacylglycerol O-acyltransferase 1, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium falciparum	diacylglycerol O-acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Echinococcus granulosus	diacylglycerol O acyltransferase 1	Get druggable targets OG5_128200	All targets in OG5_128200
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	Get druggable targets OG5_128200	All targets in OG5_128200
Schistosoma japonicum	ko:K00635 diacylglycerol O-acyltransferase [EC2.3.1.20], putative	Get druggable targets OG5_128200	All targets in OG5_128200
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium yoelii	acyl transferase-related	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium berghei	diacylglycerol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Plasmodium knowlesi	diacylglycerol O-acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Candida albicans	Acyl-CoA cholesterol acyltransferase	Get druggable targets OG5_128200	All targets in OG5_128200
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	Get druggable targets OG5_128200	All targets in OG5_128200

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)	membrane bound O-acyltransferase domain containing 1	0.0026	0.0162	0.063
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0162	0.5
Schistosoma mansoni	hypothetical protein	0.0026	0.0162	0.0165
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0027	0.0186	0.0181
Brugia malayi	diacylglycerol acyltransferase	0.0153	0.2505	1
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0162	0.5
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0026	0.0162	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0162	0.063
Brugia malayi	MBOAT family protein	0.0026	0.0162	0.063
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0153	0.2505	0.2502
Leishmania major	glycerol uptake protein, putative	0.0026	0.0162	0.5
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.0162	0.063
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0026	0.0162	0.0165
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0027	0.0186	0.0181
Schistosoma mansoni	tyrosine kinase	0.0027	0.0186	0.0189
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0162	0.0165
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0027	0.0186	0.0181
Schistosoma mansoni	sterol O-acyltransferase 1	0.0026	0.0162	0.0165
Brugia malayi	MBOAT family protein	0.0026	0.0162	0.063
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0027	0.0186	0.0181
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0153	0.2505	1
Schistosoma mansoni	growth factor receptor-bound protein	0.002	0.0055	0.0056
Schistosoma mansoni	growth factor receptor-bound protein	0.002	0.0055	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0162	0.063
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0027	0.0186	0.0181
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0162	0.5
Entamoeba histolytica	vacuolar protein sorting 26	0.0026	0.0162	1
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0026	0.0162	0.5
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0026	0.0162	0.0157
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0027	0.0186	0.0181
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.0162	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0027	0.0186	0.0181
Echinococcus multilocularis	growth factor receptor bound protein 2	0.002	0.0055	0.0051
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0162	0.0165
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.002	0.0055	0.0056
Echinococcus multilocularis	NCK adaptor protein	0.002	0.0055	0.0051
Trypanosoma cruzi	GUP1, putative	0.0026	0.0162	0.5
Schistosoma mansoni	adapter molecule crk	0.002	0.0055	0.0056
Leishmania major	glycerol uptake protein, putative	0.0026	0.0162	0.5
Trypanosoma cruzi	GUP1, putative	0.0026	0.0162	0.5
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0027	0.0186	0.0181
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0153	0.2505	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0027	0.0186	0.0181
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0162	0.063
Schistosoma mansoni	tyrosine kinase	0.0552	0.9819	1
Loa Loa (eye worm)	hypothetical protein	0.0128	0.2032	0.8107
Brugia malayi	MBOAT family protein	0.0026	0.0162	0.063
Brugia malayi	SRC-1	0.0027	0.0186	0.0724
Echinococcus multilocularis	c src tyrosine kinase	0.0027	0.0186	0.0181
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.002	0.0055	0.0203
Brugia malayi	Tyrosine-protein kinase abl-1	0.0027	0.0186	0.0724
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.0162	0.5
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0162	0.0157
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0026	0.0162	0.0157
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0026	0.0162	0.0157
Trypanosoma brucei	glycerol uptake protein, putative	0.0026	0.0162	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	0.0055	0.0203
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0027	0.0186	0.0181
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0027	0.0186	0.0181
Schistosoma mansoni	nck2/grb4	0.002	0.0055	0.0056
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0026	0.0162	0.0165
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.0162	0.063
Trypanosoma brucei	glycerol uptake protein, putative	0.0026	0.0162	0.5
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.0162	0.0165
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0162	0.5
Treponema pallidum	alginate O-acetylation protein (algI)	0.0026	0.0162	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0027	0.0186	0.0181
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.0162	1
Leishmania major	hypothetical protein, conserved	0.0026	0.0162	0.5
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0027	0.0186	0.0189
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0162	0.0157
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0027	0.0186	0.0181
Leishmania major	glycerol uptake protein, putative	0.0026	0.0162	0.5
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0162	0.0157
Brugia malayi	Hhat protein	0.0026	0.0162	0.063
Loa Loa (eye worm)	hhat protein	0.0026	0.0162	0.063
Brugia malayi	Variant SH3 domain containing protein	0.002	0.0055	0.0203
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0026	0.0162	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0162	0.063
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0153	0.2505	1
Echinococcus granulosus	NCK adaptor protein	0.002	0.0055	0.0051
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0561	1	1
Schistosoma mansoni	tyrosine kinase	0.0017	0.0005	0.0005
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.0162	0.063
Schistosoma mansoni	tyrosine kinase	0.0027	0.0186	0.0189
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0026	0.0162	0.0157
Trichomonas vaginalis	porcupine, putative	0.0026	0.0162	0.5
Schistosoma mansoni	zinc finger protein	0.0026	0.0162	0.0165
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0153	0.2505	0.2551
Onchocerca volvulus		0.0026	0.0162	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0027	0.0186	0.0181
Leishmania major	glycerol uptake protein, putative	0.0026	0.0162	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0027	0.0186	0.0181
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0162	0.0157
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0026	0.0162	0.0157
Brugia malayi	MBOAT family protein	0.0026	0.0162	0.063
Schistosoma mansoni	tyrosine kinase	0.0027	0.0186	0.0189
Echinococcus granulosus	growth factor receptor bound protein 2	0.002	0.0055	0.0051
Schistosoma mansoni	tyrosine kinase	0.0027	0.0186	0.0189
Leishmania major	glycerol uptake protein, putative	0.0026	0.0162	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0027	0.0186	0.0181
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.0162	0.0157
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0026	0.0162	0.0157
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.002	0.0055	0.0203
Brugia malayi	Sex muscle abnormal protein 5	0.002	0.0055	0.0203
Brugia malayi	MBOAT family protein	0.0026	0.0162	0.063
Entamoeba histolytica	hypothetical protein, conserved	0.0026	0.0162	1
Echinococcus granulosus	sterol O acyltransferase 1	0.0026	0.0162	0.0157
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.0162	0.0157
Echinococcus multilocularis	sterol O acyltransferase 1	0.0026	0.0162	0.0157
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.0162	0.5
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0153	0.2505	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.0162	1
Echinococcus granulosus	c src tyrosine kinase	0.0027	0.0186	0.0181
Entamoeba histolytica	hypothetical protein	0.0026	0.0162	1
Loa Loa (eye worm)	hhat protein	0.0026	0.0162	0.063
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0153	0.2505	0.2502
Loa Loa (eye worm)	SRC-1	0.0027	0.0186	0.0724
Brugia malayi	Variant SH3 domain containing protein	0.002	0.0055	0.0203
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0027	0.0186	0.0181
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0153	0.2505	0.5
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0027	0.0186	0.0181

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1200 nM	Inhibition of human full length DGAT-1 expressed in insect sf9 cells using [14C]decanoylCoA as substrate after 1.5 hrs by scintillation spectrometry	ChEMBL.	23871442

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: CHEMBL2414683

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1773876