TDR Targets

Basic information

Technical information

TDR Targets ID: 679424
Name: N-(4-acetylphenyl)-2-[(4-oxo-1H-quinazolin-2- yl)sulfanyl]acetamide
MW: 353.395 | Formula: C18H15N3O3S
H donors: 2 H acceptors: 5 LogP: 2.95 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)C(=O)C)CSc1nc(O)c2c(n1)cccc2
InChi: 1S/C18H15N3O3S/c1-11(22)12-6-8-13(9-7-12)19-16(23)10-25-18-20-15-5-3-2-4-14(15)17(24)21-18/h2-9H,10H2,1H3,(H,19,23)(H,20,21,24)
InChiKey: QFAABUKPVMUCQC-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

N-(4-acetylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)thio]acetamide
N-(4-acetylphenyl)-2-[(4-keto-1H-quinazolin-2-yl)thio]acetamide
N-(4-ethanoylphenyl)-2-[(4-oxo-1H-quinazolin-2-yl)sulfanyl]ethanamide
ZINC02237086
STOCK3S-73069

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)	GTP-binding regulatory protein Gs alpha-S chain	0.0049	0.0415	0.0288
Brugia malayi	bHLH-PAS transcription factor	0.0096	0.105	0.105
Brugia malayi	acetyltransferase, GNAT family protein	0.0158	0.1878	0.1878
Loa Loa (eye worm)	jmjC domain-containing protein	0.0063	0.0601	0.0477
Echinococcus multilocularis	lysine specific demethylase 5A	0.0063	0.0601	0.0395
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0131	0.1515	0.5
Schistosoma mansoni	microtubule-associated protein tau	0.0729	0.9511	1
Loa Loa (eye worm)	acetyltransferase	0.0158	0.1878	0.1771
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0131	0.1515	0.1209
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0046	0.0385	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0765	1	1
Schistosoma mansoni	jumonji domain containing protein	0.0063	0.0601	0.0205
Loa Loa (eye worm)	hypothetical protein	0.0271	0.3385	0.3297
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.0158	0.1878	0.1608
Echinococcus granulosus	muscleblind protein	0.0159	0.1893	0.1715
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0063	0.0601	0.0205
Brugia malayi	PAS domain containing protein	0.013	0.1503	0.1503
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0664	1
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0034	0.0215	0.1581
Onchocerca volvulus		0.0096	0.105	0.1425
Echinococcus multilocularis	microtubule associated protein 2	0.0729	0.9511	0.95
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0131	0.1515	1
Brugia malayi	hypothetical protein	0.0472	0.6078	0.6078
Echinococcus multilocularis	survival motor neuron protein 1	0.0765	1	1
Brugia malayi	Muscleblind-like protein	0.0159	0.1893	0.1893
Echinococcus multilocularis	geminin	0.036	0.4573	0.4453
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0046	0.0385	1
Giardia lamblia	Histone acetyltransferase GCN5	0.0043	0.0333	0.5
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0131	0.1515	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0049	0.0415	0.0415
Loa Loa (eye worm)	hypothetical protein	0.0472	0.6078	0.6027
Schistosoma mansoni	hypothetical protein	0.036	0.4573	0.4571
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0034	0.0215	0.1581
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1509	0.2208
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0062	0.0586	0.8534
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0415	0.0204
Schistosoma mansoni	hypothetical protein	0.0226	0.2789	0.261
Loa Loa (eye worm)	hypothetical protein	0.0472	0.6078	0.6027
Schistosoma mansoni	hypothetical protein	0.036	0.4573	0.4571
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0131	0.1515	0.1328
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0415	0.0204
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0131	0.1515	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Leishmania major	protein kinase, putative	0.0034	0.0215	0.0609
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0034	0.0215	0.5
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1509	0.1397
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0046	0.0385	1
Echinococcus multilocularis	muscleblind protein 1	0.0159	0.1893	0.1715
Leishmania major	cathepsin L-like protease	0.0067	0.0664	0.3853
Toxoplasma gondii	aldehyde dehydrogenase	0.0131	0.1515	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Schistosoma mansoni	hypothetical protein	0.0156	0.1851	0.1579
Brugia malayi	jmjC domain containing protein	0.0063	0.0601	0.0601
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0278	0.3487	0.3344
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0063	0.0601	0.0395
Echinococcus granulosus	geminin	0.036	0.4573	0.4453
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0049	0.0415	0.0204
Leishmania major	cathepsin L-like protease	0.0067	0.0664	0.3853
Brugia malayi	hypothetical protein	0.0219	0.2687	0.2687
Onchocerca volvulus		0.0472	0.6078	1
Onchocerca volvulus	Huntingtin homolog	0.0131	0.1509	0.2208
Brugia malayi	bZIP transcription factor family protein	0.0278	0.3487	0.3487
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0034	0.0215	0.1581
Loa Loa (eye worm)	hypothetical protein	0.0436	0.56	0.5542
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0131	0.1515	1
Echinococcus granulosus	jun protein	0.0278	0.3487	0.3344
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0046	0.0385	0.1836
Echinococcus multilocularis	transfer RNA-Lys	0.0096	0.105	0.0854
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0034	0.0215	0.0609
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0278	0.3487	0.3344
Echinococcus multilocularis	jun protein	0.0278	0.3487	0.3344
Onchocerca volvulus		0.0219	0.2687	0.4216
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0156	0.1851	0.1851
Onchocerca volvulus		0.0156	0.1851	0.279
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0063	0.0601	0.0395
Loa Loa (eye worm)	hypothetical protein	0.0131	0.1509	0.1397
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0215	0.0085
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0046	0.0385	1
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.0158	0.1878	0.17
Echinococcus granulosus	survival motor neuron protein 1	0.0765	1	1
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0131	0.1515	0.1328
Echinococcus granulosus	microtubule associated protein 2	0.0729	0.9511	0.95
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0063	0.0601	0.0205
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0333	0.5
Brugia malayi	hypothetical protein	0.0027	0.013	0.013
Brugia malayi	hypothetical protein	0.0131	0.1509	0.1509
Loa Loa (eye worm)	runx1	0.0059	0.0555	0.043
Schistosoma mansoni	survival motor neuron protein	0.0156	0.1851	0.1579
Echinococcus granulosus	single minded 2	0.0096	0.105	0.0854
Schistosoma mansoni	aryl hydrocarbon receptor	0.013	0.1503	0.1196
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0664	1
Brugia malayi	hypoxia-induced factor 1	0.0403	0.5148	0.5148
Mycobacterium leprae	Possible regulatory protein	0.0034	0.0215	0.5
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0034	0.0215	0.0085
Trypanosoma cruzi	major cysteine proteinase, putative	0.0053	0.0471	0.6383
Echinococcus multilocularis	Protein lozenge	0.0059	0.0555	0.0348
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0403	0.5148	0.5084
Schistosoma mansoni	jun-related protein	0.0226	0.2789	0.261
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0034	0.0215	0.1581
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Plasmodium falciparum	histone acetyltransferase GCN5	0.0043	0.0333	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0067	0.0664	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1893	0.1785
Echinococcus multilocularis	muscleblind protein	0.0159	0.1893	0.1715
Schistosoma mansoni	single-minded	0.013	0.1503	0.1196
Brugia malayi	jmjC domain containing protein	0.0063	0.0601	0.0601
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0034	0.0215	0.1581
Brugia malayi	hypothetical protein	0.0436	0.56	0.56
Echinococcus granulosus	lysine specific demethylase 5A	0.0063	0.0601	0.0395
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0049	0.0415	0.0204
Leishmania major	cathepsin L-like protease	0.0067	0.0664	0.3853
Trypanosoma cruzi	cysteine peptidase, putative	0.0067	0.0664	1
Loa Loa (eye worm)	hypothetical protein	0.0159	0.1893	0.1785
Leishmania major	protein kinase, putative	0.0034	0.0215	0.0609
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0046	0.0385	0.1836
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0034	0.0215	0.1581
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0131	0.1515	0.1209
Schistosoma mansoni	lozenge	0.0059	0.0555	0.0154
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0067	0.0664	1
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0154	0.1819	0.1639

Activities

No activities found for this compound.

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 679424