TDR Targets

Basic information

Technical information

TDR Targets ID: 346609
Name: 3-(2,4-difluorophenyl)-1-heptyl-1-[5-(5-pheny lpyridazin-3-yl)sulfinylpentyl]urea
MW: 542.684 | Formula: C29H36F2N4O2S
H donors: 1 H acceptors: 4 LogP: 6.79 Rotable bonds: 17
Rule of 5 violations (Lipinski): 2
SMILES: CCCCCCCN(C(=O)Nc1ccc(cc1F)F)CCCCC[S+](c1nncc(c1)c1ccccc1)[O-]
InChi: 1S/C29H36F2N4O2S/c1-2-3-4-5-10-17-35(29(36)33-27-16-15-25(30)21-26(27)31)18-11-7-12-19-38(37)28-20-24(22-32-34-28)23-13-8-6-9-14-23/h6,8-9,13-16,20-22H,2-5,7,10-12,17-19H2,1H3,(H,33,36)
InChiKey: IRDUFNIRPDAASV-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

3-(2,4-difluorophenyl)-1-heptyl-1-[5-[(5-phenyl-3-pyridazinyl)sulfinyl]pentyl]urea

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
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Schistosoma mansoni	protein tyrosine phosphatase	0.0022	0.0025	0.2271
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0022	0.0025	0.0025
Schistosoma mansoni	factor for adipocyte differentiation	0.0022	0.0025	0.2271
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0022	0.0025	0.2271
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0031	0.0105	0.0079
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0022	0.0025	0.5
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0022	0.0025	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0032	0.0112	1
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0022	0.0025	0.0025
Schistosoma mansoni	ephrin receptor	0.0031	0.0105	0.9345
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	lethal protein 805	0.0022	0.0025	0.0025
Brugia malayi	Protein kinase domain containing protein	0.0277	0.232	0.232
Schistosoma mansoni	factor for adipocyte differentiation	0.0022	0.0025	0.2271
Brugia malayi	Fibronectin type III domain containing protein	0.0022	0.0025	0.0025
Onchocerca volvulus		0.0022	0.0025	0.0808
Leishmania major	hypothetical protein, conserved	0.0022	0.0025	0.5
Loa Loa (eye worm)	CAMK protein kinase	0.0022	0.0025	0.0025
Schistosoma mansoni	factor for adipocyte differentiation	0.0022	0.0025	0.2271
Echinococcus multilocularis	tyrosine protein kinase	0.1128	1	1
Brugia malayi	plexin A	0.0023	0.0032	0.0032
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Schistosoma mansoni	tripartite motif protein trim9	0.0022	0.0025	0.2271
Onchocerca volvulus		0.0055	0.0315	1
Loa Loa (eye worm)	TK protein kinase	0.1128	1	1
Onchocerca volvulus		0.0022	0.0025	0.0808
Loa Loa (eye worm)	hypothetical protein	0.1119	0.9921	0.9921
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0022	0.0025	0.0025
Schistosoma mansoni	nephrin	0.0022	0.0025	0.2271
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0032	0.0112	1
Brugia malayi	myotactin form A	0.0022	0.0025	0.0025
Brugia malayi	hypothetical protein	0.0032	0.0112	0.0112
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 30.	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Schistosoma mansoni	myosin-binding protein-related	0.0022	0.0025	0.2271
Schistosoma mansoni	cell adhesion molecule	0.0022	0.0025	0.2271
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0022	0.0025	0.2271
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0022	0.0025	0.0025
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Trypanosoma brucei	Fibronectin type III domain containing protein, putative	0.0022	0.0025	0.5
Brugia malayi	hypothetical protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Echinococcus multilocularis	plexin a4	0.0023	0.0032	0.0007
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0031	0.0105	0.0079
Onchocerca volvulus		0.0022	0.0025	0.0808
Echinococcus granulosus	tyrosine protein kinase	0.1128	1	1
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Onchocerca volvulus		0.0022	0.0025	0.0808
Loa Loa (eye worm)	plexin A	0.0023	0.0032	0.0032
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0022	0.0025	0.0025
Echinococcus granulosus	plexin a4	0.0023	0.0032	0.0007
Schistosoma mansoni	neuroglian	0.0022	0.0025	0.2271
Schistosoma mansoni	hypothetical protein	0.0022	0.0025	0.2271
Loa Loa (eye worm)	TK/ALK protein kinase	0.0277	0.2319	0.2319
Brugia malayi	Fibronectin type III domain containing protein	0.0022	0.0025	0.0025
Onchocerca volvulus		0.0022	0.0025	0.0808
Onchocerca volvulus		0.0022	0.0025	0.0808
Onchocerca volvulus		0.0022	0.0025	0.0808
Onchocerca volvulus		0.0022	0.0025	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0112	0.0112
Brugia malayi	Protein-tyrosine phosphatase	0.0022	0.0025	0.0025
Brugia malayi	Fibronectin type III domain containing protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0236	0.195	0.195
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	myotactin form A	0.0022	0.0025	0.0025
Schistosoma mansoni	hemicentin	0.0022	0.0025	0.2271
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0022	0.0025	0.0025
Onchocerca volvulus		0.0022	0.0025	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	UNCoordinated family member	0.0022	0.0025	0.0025
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Onchocerca volvulus		0.0022	0.0025	0.0808
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Schistosoma mansoni	titin	0.0022	0.0025	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Schistosoma mansoni	cell adhesion molecule	0.0022	0.0025	0.2271
Trypanosoma cruzi	Fibronectin type III domain containing protein, putative	0.0022	0.0025	0.5
Brugia malayi	Fibronectin type III domain containing protein	0.0022	0.0025	0.0025
Onchocerca volvulus		0.0022	0.0025	0.0808
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Brugia malayi	Fibronectin type III domain containing protein	0.0022	0.0025	0.0025
Schistosoma mansoni	titin	0.0022	0.0025	0.2271
Echinococcus multilocularis	MAM	0.0032	0.0112	0.0087
Brugia malayi	hypothetical protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Brugia malayi	Lethal protein 805	0.0022	0.0025	0.0025
Brugia malayi	Twik (KCNK-like) family of potassium channels, alpha subunit 32	0.0022	0.0025	0.0025
Onchocerca volvulus		0.0032	0.0112	0.3556
Brugia malayi	SPRY domain containing protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0022	0.0025	0.0025
Brugia malayi	Lethal protein 805	0.0022	0.0025	0.0025
Schistosoma mansoni	titin	0.0022	0.0025	0.2271
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0022	0.0025	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0112	0.0112
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0022	0.0025	0.2271
Onchocerca volvulus		0.0022	0.0025	0.0808
Schistosoma mansoni	receptor protein tyrosine phosphatase	0.0022	0.0025	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Onchocerca volvulus		0.0022	0.0025	0.0808
Brugia malayi	protein unc-22	0.0022	0.0025	0.0025
Schistosoma mansoni	hypothetical protein	0.0022	0.0025	0.2271
Echinococcus granulosus	MAM	0.0032	0.0112	0.0087
Brugia malayi	Fibronectin type III domain containing protein	0.0022	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Schistosoma mansoni	serine/threonine protein kinase	0.0022	0.0025	0.2271
Loa Loa (eye worm)	fibronectin type III domain-containing protein	0.0022	0.0025	0.0025
Schistosoma mansoni	cell adhesion molecule	0.0022	0.0025	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0022	0.0025	0.0025
Schistosoma mansoni	nephrin	0.0022	0.0025	0.2271
Trypanosoma cruzi	hypothetical protein, conserved	0.0022	0.0025	0.5
Brugia malayi	myotactin form B	0.0022	0.0025	0.0025
Brugia malayi	protein-tyrosine phosphatase Lar-like precursor, putative	0.0022	0.0025	0.0025
Schistosoma mansoni	cell adhesion molecule	0.0022	0.0025	0.2271
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0112	0.0112
Schistosoma mansoni	cell adhesion molecule	0.0022	0.0025	0.2271
Loa Loa (eye worm)	projectin	0.0022	0.0025	0.0025
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0022	0.0025	0.0025

Activities

Activity type	Activity value	Assay description	Source	Reference
Inhibition (binding)	= 62 %	Inhibition of ACAT expressed in rat liver microsomes at 50 ug/ml	ChEMBL.	16302810
Inhibition (binding)	= 62 %	Inhibition of ACAT expressed in rat liver microsomes at 50 ug/ml	ChEMBL.	16302810

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

PubChem: 11555697

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 346609