TDR Targets

Basic information

Technical information

TDR Targets ID: 832933
Name: 5-chloro-N-(2-ethoxyphenyl)-2-propan-2-ylsulf anylpyrimidine-4-carboxamide
MW: 351.851 | Formula: C16H18ClN3O2S
H donors: 1 H acceptors: 3 LogP: 3.98 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1NC(=O)c1nc(ncc1Cl)SC(C)C
InChi: 1S/C16H18ClN3O2S/c1-4-22-13-8-6-5-7-12(13)19-15(21)14-11(17)9-18-16(20-14)23-10(2)3/h5-10H,4H2,1-3H3,(H,19,21)
InChiKey: GZWZTTXTHCTSCX-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

5-chloro-N-(2-ethoxyphenyl)-2-isopropylsulfanyl-pyrimidine-4-carboxamide
5-chloro-N-(2-ethoxyphenyl)-2-(isopropylthio)-4-pyrimidinecarboxamide
5-chloro-N-(2-ethoxyphenyl)-2-(isopropylthio)pyrimidine-4-carboxamide
5-chloro-N-(2-ethoxyphenyl)-2-propan-2-ylsulfanyl-pyrimidine-4-carboxamide
D233-0274
NCGC00117106-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	galactosylceramidase		No references

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
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0153	1	1
Schistosoma mansoni	tubulin subunit beta	0.0109	0.6003	0.6003
Trypanosoma cruzi	beta tubulin, putative	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Giardia lamblia	Beta tubulin	0.0109	0.6003	0.6003
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0068	0.233	0.233
Echinococcus granulosus	beta tubulin	0.0109	0.6003	0.6003
Echinococcus granulosus	tubulin beta 1 chain	0.0109	0.6003	0.6003
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0153	1	0.5
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0153	1	1
Trypanosoma brucei	beta tubulin	0.0109	0.6003	0.6003
Plasmodium falciparum	proteasome subunit beta type-5	0.0153	1	1
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0153	1	1
Echinococcus granulosus	beta tubulin	0.0109	0.6003	0.6003
Echinococcus multilocularis	beta tubulin	0.0109	0.6003	0.6003
Giardia lamblia	Proteasome subunit beta type 2	0.0068	0.233	0.233
Echinococcus multilocularis	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Loa Loa (eye worm)	tubulin beta-4 chain	0.0109	0.6003	0.6003
Echinococcus multilocularis	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Echinococcus multilocularis	tubulin, beta 4A class IVa	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Loa Loa (eye worm)	BEN-1 protein	0.0109	0.6003	0.6003
Plasmodium falciparum	tubulin beta chain	0.0109	0.6003	0.6003
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0153	1	1
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0153	1	0.5
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Toxoplasma gondii	beta tubulin	0.0109	0.6003	0.6003
Echinococcus granulosus	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0153	1	1
Trypanosoma cruzi	proteasome subunit beta type-2, putative	0.0068	0.233	0.233
Loa Loa (eye worm)	tubulin beta-2A chain	0.0109	0.6003	0.6003
Loa Loa (eye worm)	tubulin beta chain	0.0109	0.6003	0.6003
Schistosoma mansoni	tubulin subunit beta	0.0109	0.6003	0.6003
Trypanosoma brucei	beta tubulin	0.0109	0.6003	0.6003
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0153	1	1
Entamoeba histolytica	probable proteasome subunit beta type 2, putative	0.0068	0.233	0.233
Echinococcus granulosus	tubulin beta 4A class IVa	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Loa Loa (eye worm)	tubulin beta-1 chain	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Entamoeba histolytica	tubulin family protein	0.0109	0.6003	0.6003
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0068	0.233	0.233
Trypanosoma brucei	beta tubulin	0.0109	0.6003	0.6003
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0153	1	1
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Plasmodium vivax	tubulin beta chain, putative	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Schistosoma mansoni	tubulin subunit beta	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Echinococcus multilocularis	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Loa Loa (eye worm)	beta-tubulin	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0068	0.233	0.233
Echinococcus granulosus	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Echinococcus granulosus	tubulin subunit beta	0.0109	0.6003	0.6003
Schistosoma mansoni	tubulin subunit beta	0.0109	0.6003	0.6003
Giardia lamblia	Beta tubulin	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Trypanosoma brucei	proteasome subunit beta type-2, putative	0.0068	0.233	0.233
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0068	0.233	0.233
Trichomonas vaginalis	tubulin alpha chain, putative	0.0109	0.6003	0.6003
Echinococcus granulosus	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0068	0.233	0.233
Toxoplasma gondii	beta-1 tubulin, putative	0.0109	0.6003	0.6003
Schistosoma mansoni	tubulin subunit beta	0.0109	0.6003	0.6003
Brugia malayi	Tubulin beta-1 chain	0.0109	0.6003	0.6003
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0153	1	1
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Echinococcus multilocularis	beta tubulin	0.0109	0.6003	0.6003
Trichomonas vaginalis	tubulin, putative	0.0109	0.6003	0.6003
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0153	1	1
Giardia lamblia	Beta tubulin	0.0109	0.6003	0.6003
Leishmania major	proteasome beta 5 subunit, putative	0.0153	1	1
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Trypanosoma cruzi	20S proteasome subunit	0.0068	0.233	0.233
Schistosoma mansoni	tubulin subunit beta	0.0109	0.6003	0.6003
Echinococcus multilocularis	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Trypanosoma brucei	beta tubulin	0.0109	0.6003	0.6003
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0153	1	1
Loa Loa (eye worm)	BEN-1 protein	0.0109	0.6003	0.6003
Entamoeba histolytica	tubulin family protein	0.0109	0.6003	0.6003
Echinococcus multilocularis	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Trichomonas vaginalis	tubulin gamma chain, putative	0.0109	0.6003	0.6003
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Trichomonas vaginalis	tubulin beta chain, putative	0.0109	0.6003	0.6003
Echinococcus granulosus	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Echinococcus multilocularis	tubulin beta 1 chain	0.0109	0.6003	0.6003
Brugia malayi	beta-tubulin, identical	0.0109	0.6003	0.6003
Leishmania major	proteasome beta 2 subunit, putative	0.0068	0.233	0.233
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Plasmodium falciparum	proteasome subunit beta type-2, putative	0.0068	0.233	0.233
Brugia malayi	proteasome subunit beta type 2	0.0068	0.233	0.233
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0109	0.6003	0.6003
Echinococcus granulosus	Tubulin beta 2C chain	0.0109	0.6003	0.6003
Toxoplasma gondii	proteasome subunit beta type, putative	0.0153	1	1
Plasmodium vivax	proteasome subunit beta type-2, putative	0.0068	0.233	0.233
Toxoplasma gondii	beta-tubulin, putative	0.0109	0.6003	0.6003
Echinococcus multilocularis	tubulin subunit beta	0.0109	0.6003	0.6003
Toxoplasma gondii	proteasome subunit beta type 2, putative	0.0068	0.233	0.233
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0068	0.233	0.233
Leishmania major	beta tubulin	0.0109	0.6003	0.6003
Trichomonas vaginalis	tubulin epsilon chain, putative	0.0109	0.6003	0.6003
Mycobacterium ulcerans	proteasome PrcB	0.0153	1	0.5
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0068	0.233	0.233
Echinococcus granulosus	proteasome prosome macropain	0.0153	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.2387 uM	PubChem BioAssay. A Novel Cell-Based Assay to Identify Small Molecules for B -Galactocerebrosidase. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	39.8107 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference

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: CHEMBL1338164
Search by Saint Jude

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 832933