TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 575.654 | Formula: C35H33N3O5
H donors: 2 H acceptors: 4 LogP: 6.75 Rotable bonds: 10
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)Cc1cccc(c1)OCC1CCN(CC1)c1ccc(cn1)NC(=O)c1oc2c(c1C)cc(cc2)c1ccccc1
InChi: 1S/C35H33N3O5/c1-23-30-20-27(26-7-3-2-4-8-26)10-12-31(30)43-34(23)35(41)37-28-11-13-32(36-21-28)38-16-14-24(15-17-38)22-42-29-9-5-6-25(18-29)19-33(39)40/h2-13,18,20-21,24H,14-17,19,22H2,1H3,(H,37,41)(H,39,40)
InChiKey: QTUZWWMPCWBLRT-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	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
Brugia malayi	diacylglycerol acyltransferase	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
Plasmodium berghei	diacylglycerol O-acyltransferase, putative	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
Plasmodium knowlesi	diacylglycerol O-acyltransferase, putative	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
Loa Loa (eye worm)	hypothetical protein	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
Babesia bovis	diacylglycerol acyltransferase, putative	Get druggable targets OG5_128200	All targets in OG5_128200
Theileria parva	diacylglycerol O-acyltransferase, putative	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
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	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
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
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	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
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	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
Neospora caninum	diacylglycerol 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
Cryptosporidium hominis	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	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
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.1016	0.119
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0153	0.8544	1
Trichomonas vaginalis	porcupine, putative	0.0026	0.1016	0.5
Onchocerca volvulus		0.0161	0.9018	0.9644
Echinococcus multilocularis	Immunoglobulin	0.0011	0.0137	0.0025
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0153	0.8544	0.5
Schistosoma mansoni	hypothetical protein	0.0026	0.1016	0.119
Schistosoma mansoni	nephrin	0.0011	0.0117	0.0137
Schistosoma mansoni	vesicular amine transporter	0.0011	0.0137	0.0161
Brugia malayi	MBOAT family protein	0.0026	0.1016	0.091
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0026	0.1016	0.119
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.1016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0385	0.0272
Brugia malayi	MBOAT family protein	0.0026	0.1016	0.091
Entamoeba histolytica	hypothetical protein, conserved	0.0026	0.1016	0.5
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.1016	0.119
Echinococcus granulosus	Immunoglobulin	0.0011	0.0137	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0137	0.0021
Leishmania major	glycerol uptake protein, putative	0.0026	0.1016	0.5
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0026	0.1016	0.1068
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0026	0.1016	0.091
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.1016	0.1068
Loa Loa (eye worm)	hhat protein	0.0026	0.1016	0.091
Schistosoma mansoni	sterol O-acyltransferase 1	0.0026	0.1016	0.119
Echinococcus multilocularis	sterol O acyltransferase 1	0.0026	0.1016	0.1068
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.1016	0.1068
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.1016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1016	0.091
Brugia malayi	hypothetical protein	0.0015	0.0385	0.0272
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0015	0.0385	0.0272
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0026	0.1016	0.1068
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0026	0.1016	0.1068
Schistosoma mansoni	cell adhesion molecule	0.0019	0.0595	0.0696
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.1016	0.5
Echinococcus granulosus	twitchin	0.0014	0.0301	0.0219
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.1016	0.1068
Brugia malayi	diacylglycerol acyltransferase	0.0153	0.8544	0.8526
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1016	0.091
Entamoeba histolytica	vacuolar protein sorting 26	0.0026	0.1016	0.5
Echinococcus granulosus	defective proboscis extension response	0.0011	0.0137	0.0025
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0026	0.1016	0.119
Leishmania major	glycerol uptake protein, putative	0.0026	0.1016	0.5
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.1016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0128	0.7023	0.6988
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0153	0.8544	1
Entamoeba histolytica	hypothetical protein	0.0026	0.1016	0.5
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0026	0.1016	0.1068
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.1016	0.1068
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0137	0.0021
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0026	0.1016	0.5
Leishmania major	hypothetical protein, conserved	0.0026	0.1016	0.5
Echinococcus multilocularis	neuroglian	0.0014	0.0301	0.0219
Trypanosoma brucei	glycerol uptake protein, putative	0.0026	0.1016	0.5
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0153	0.8544	1
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0153	0.8544	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0137	0.0021
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.1016	0.091
Echinococcus granulosus	sterol O acyltransferase 1	0.0026	0.1016	0.1068
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0026	0.1016	0.5
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0011	0.0137	0.0161
Schistosoma mansoni	cell adhesion molecule	0.0011	0.0117	0.0137
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0153	0.8544	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0347	0.0233
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1016	0.091
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.1016	0.091
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0511	0.0399
Schistosoma mansoni	cell adhesion molecule	0.0011	0.0117	0.0137
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.1016	0.5
Echinococcus granulosus	roundabout 2	0.0021	0.0759	0.0762
Loa Loa (eye worm)	hhat protein	0.0026	0.1016	0.091
Loa Loa (eye worm)	hypothetical protein	0.0026	0.1016	0.091
Leishmania major	glycerol uptake protein, putative	0.0026	0.1016	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.1016	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0026	0.1016	0.5
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0011	0.0137	0.0025
Loa Loa (eye worm)	MBOAT family protein	0.0026	0.1016	0.091
Echinococcus multilocularis	Immunoglobulin	0.0011	0.0137	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0385	0.0272
Trypanosoma brucei	glycerol uptake protein, putative	0.0026	0.1016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0385	0.0272
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0026	0.1016	0.1068
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0011	0.0117	0.0137
Brugia malayi	Fibronectin type III domain containing protein	0.0015	0.0385	0.0272
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0011	0.0137	0.0161
Leishmania major	glycerol uptake protein, putative	0.0026	0.1016	0.5
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0511	0.0399
Schistosoma mansoni	zinc finger protein	0.0026	0.1016	0.119
Echinococcus granulosus	neuroglian	0.0014	0.0301	0.0219
Trypanosoma cruzi	GUP1, putative	0.0026	0.1016	0.5
Schistosoma mansoni	nephrin	0.0018	0.0549	0.0643
Brugia malayi	Hhat protein	0.0026	0.1016	0.091
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0153	0.8544	1
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0026	0.1016	0.119
Schistosoma mansoni	neuroglian	0.0011	0.0117	0.0137
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0026	0.1016	0.1068
Leishmania major	glycerol uptake protein, putative	0.0026	0.1016	0.5
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0153	0.8544	0.8526
Brugia malayi	MBOAT family protein	0.0026	0.1016	0.091
Treponema pallidum	alginate O-acetylation protein (algI)	0.0026	0.1016	0.5
Echinococcus multilocularis	roundabout 2	0.0021	0.0759	0.0762
Onchocerca volvulus	Tyrosine kinase homolog	0.0166	0.9313	1
Brugia malayi	MBOAT family protein	0.0026	0.1016	0.091
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.0026	0.1016	0.1068
Trypanosoma cruzi	glycerol uptake protein, putative	0.0026	0.1016	0.5
Trypanosoma cruzi	GUP1, putative	0.0026	0.1016	0.5
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.0026	0.1016	0.1068
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0178	1	1
Brugia malayi	MBOAT family protein	0.0026	0.1016	0.091
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0026	0.1016	0.1068
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0014	0.0347	0.0273
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0026	0.1016	0.1068

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 120 nM	Inhibition of human DGAT1 expressed in Sf9 cells using 1,2-dioleoyl-sn-glycerol and [14C]-palmitoyl-Co A substrates incubated for 2 hrs by scintillation counting method	ChEMBL.	23317570
Inhibition (functional)		Reduction in plasma triglyceride levels in C57BL/6J mouse at 3 mg/kg, po by colorimetric method based postprandial triglyceride assay	ChEMBL.	23317570

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: CHEMBL2334071

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 1732997