TDR Targets

Basic information

Technical information

TDR Targets ID: 1349816
Name: 2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfa nyl-6-propyl-1H-pyrimidin-4-one
MW: 329.417 | Formula: C17H19N3O2S
H donors: 1 H acceptors: 4 LogP: 3.34 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCc1nc(SCC(=O)N2CCc3c2cccc3)nc(c1)O
InChi: 1S/C17H19N3O2S/c1-2-5-13-10-15(21)19-17(18-13)23-11-16(22)20-9-8-12-6-3-4-7-14(12)20/h3-4,6-7,10H,2,5,8-9,11H2,1H3,(H,18,19,21)
InChiKey: MIISBTITYMIOLG-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

2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-6-propyl-1H-pyrimidin-4-one
2-[[2-(1-indolinyl)-2-oxoethyl]thio]-6-propyl-1H-pyrimidin-4-one
2-[(2-indolin-1-yl-2-keto-ethyl)thio]-6-propyl-1H-pyrimidin-4-one
2-[2-(2,3-dihydroindol-1-yl)-2-oxo-ethyl]sulfanyl-6-propyl-1H-pyrimidin-4-one
ZINC03232976
T0508-4758

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	l(3)mbt-like 1 (Drosophila)	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 3 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma japonicum	Lethal(3)malignant brain tumor-like 4 protein, putative	Get druggable targets OG5_130415	All targets in OG5_130415
Echinococcus multilocularis	endonuclease exonuclease phosphatase	Get druggable targets OG5_130415	All targets in OG5_130415
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_130415	All targets in OG5_130415

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
Entamoeba histolytica	cysteine proteinase, putative	0.0488	0.2064	0.3182
Echinococcus multilocularis	cathepsin L cysteine protease	0.0709	0.3808	0.3808
Leishmania major	cathepsin L-like protease	0.0709	0.3808	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0709	0.3808	0.3808
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0709	0.3808	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0385	0.125	0.0307
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1493	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Brugia malayi	Cathepsin L-like precursor	0.0488	0.2064	0.093
Echinococcus multilocularis	cathepsin b	0.1493	1	1
Leishmania major	cathepsin L-like protease	0.0709	0.3808	1
Entamoeba histolytica	cysteine proteinase, putative	0.0709	0.3808	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0488	0.2064	0.093
Plasmodium vivax	vivapain-2	0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Onchocerca volvulus		0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Echinococcus multilocularis	cathepsin L	0.0385	0.125	0.125
Loa Loa (eye worm)	hypothetical protein	0.0709	0.3808	0.2198
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0709	0.3808	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0709	0.3808	0.2924
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0709	0.3808	1
Brugia malayi	Cathepsin L-like precursor	0.0709	0.3808	0.2924
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0709	0.3808	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0709	0.3808	0.3808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0709	0.3808	1
Entamoeba histolytica	cysteine proteinase, putative	0.0709	0.3808	1
Onchocerca volvulus		0.0709	0.3808	1
Brugia malayi	Cathepsin L-like precursor	0.0709	0.3808	0.2924
Onchocerca volvulus		0.0709	0.3808	1
Onchocerca volvulus	Cathepsin L homolog	0.0709	0.3808	1
Brugia malayi	Cathepsin L-like precursor	0.0709	0.3808	0.2924
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0575	0.2751	0.5868
Echinococcus multilocularis	cathepsin b	0.1493	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Onchocerca volvulus		0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Onchocerca volvulus		0.0709	0.3808	1
Loa Loa (eye worm)	cysteine protease	0.0709	0.3808	0.2198
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0709	0.3808	0.2198
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0709	0.3808	0.3808
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0709	0.3808	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0709	0.3808	0.2198
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0385	0.125	0.0307
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Brugia malayi	Cathepsin L-like precursor	0.0709	0.3808	0.2924
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0709	0.3808	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.1493	1	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0709	0.3808	0.3808
Leishmania major	cathepsin L-like protease	0.0709	0.3808	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1493	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0709	0.3808	0.2924
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.1493	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0709	0.3808	0.3141
Leishmania major	cathepsin L-like protease	0.0709	0.3808	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0385	0.125	0.0307
Echinococcus granulosus	cathepsin b	0.1493	1	1
Plasmodium vivax	vivapain-2	0.0709	0.3808	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0709	0.3808	0.2924
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0575	0.2751	0.5868
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0709	0.3808	1
Echinococcus granulosus	cathepsin l1	0.0488	0.2064	0.2064
Schistosoma mansoni	cathepsin F (C01 family)	0.0709	0.3808	0.3141
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0709	0.3808	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Onchocerca volvulus	Cathepsin L homolog	0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0709	0.3808	0.3808
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0709	0.3808	1
Onchocerca volvulus	Cathepsin F homolog	0.0709	0.3808	1
Entamoeba histolytica	cysteine protease, putative	0.0709	0.3808	1
Leishmania major	cysteine peptidase A (CPA)	0.0709	0.3808	1
Giardia lamblia	Cathepsin B precursor	0.0575	0.2751	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Leishmania major	cathepsin L-like protease	0.0709	0.3808	1
Loa Loa (eye worm)	hypothetical protein	0.1493	1	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.1493	1	1
Echinococcus granulosus	cysteine protease	0.0385	0.125	0.125
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Echinococcus multilocularis	cysteine protease	0.0709	0.3808	0.3808
Giardia lamblia	Cathepsin B precursor	0.0575	0.2751	0.5
Onchocerca volvulus		0.0709	0.3808	1
Loa Loa (eye worm)	cathepsin B	0.0575	0.2751	0.0866
Schistosoma mansoni	cathepsin F (C01 family)	0.0488	0.2064	0.1209
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0709	0.3808	1
Loa Loa (eye worm)	ctsf protein	0.0709	0.3808	0.2198
Brugia malayi	Cathepsin L-like precursor	0.0488	0.2064	0.093
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0488	0.2064	0.093
Brugia malayi	Papain family cysteine protease containing protein	0.0709	0.3808	0.2924
Loa Loa (eye worm)	fibroinase	0.0709	0.3808	0.2198
Giardia lamblia	Cathepsin B precursor	0.0575	0.2751	0.5
Trypanosoma cruzi	cysteine peptidase, putative	0.0709	0.3808	0.2924
Leishmania major	cathepsin L-like protease	0.0709	0.3808	1
Brugia malayi	cathepsin L-like precursor	0.0488	0.2064	0.093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0709	0.3808	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0385	0.125	0.125
Brugia malayi	Cathepsin L-like precursor	0.0709	0.3808	0.2924
Leishmania major	cathepsin L-like protease	0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0488	0.2064	0.3182
Leishmania major	cathepsin L-like protease	0.0709	0.3808	1
Echinococcus granulosus	cathepsin l1	0.0709	0.3808	0.3808
Echinococcus multilocularis	cysteine protease	0.0709	0.3808	0.3808
Brugia malayi	Cathepsin L-like precursor	0.0709	0.3808	0.2924
Onchocerca volvulus		0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0488	0.2064	0.3182
Trypanosoma cruzi	cysteine peptidase, putative	0.0709	0.3808	0.2924
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0575	0.2751	0.1716
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0709	0.3808	1
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0575	0.2751	0.197
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0709	0.3808	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0709	0.3808	1
Toxoplasma gondii	cathepsin CPL	0.0709	0.3808	1
Echinococcus granulosus	cathepsin b	0.1493	1	1
Echinococcus granulosus	cathepsin L	0.0385	0.125	0.125
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0709	0.3808	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 7.9433 um	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of L3MBTL1. (Class of assay: confirmatory) [Related pubchem assays: 485292 (Probe Development Summary for Inhibitors of L3MBTL1)]	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: CHEMBL1489441

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 1349816