TDR Targets

Basic information

Technical information

TDR Targets ID: 1303505
Name: 2-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]sulfany l-1H-quinazolin-4-one
MW: 328.342 | Formula: C16H12N2O4S
H donors: 3 H acceptors: 6 LogP: 3.62 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(c(c1)O)C(=O)CSc1nc(O)c2c(n1)cccc2
InChi: 1S/C16H12N2O4S/c19-9-5-6-11(13(20)7-9)14(21)8-23-16-17-12-4-2-1-3-10(12)15(22)18-16/h1-7,19-20H,8H2,(H,17,18,22)
InChiKey: HLPCWKJOJSOZPX-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-(2,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-1H-quinazolin-4-one
2-[[2-(2,4-dihydroxyphenyl)-2-oxoethyl]thio]-1H-quinazolin-4-one
2-[[2-(2,4-dihydroxyphenyl)-2-keto-ethyl]thio]-1H-quinazolin-4-one
1-(2,4-Dihydroxy-phenyl)-2-(4-hydroxy-quinazolin-2-ylsulfanyl)-ethanone
BAS 01247554
ZINC04637857
ST073247
Oprea1_363980
MLS000714554
SMR000274533

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	signal transducer and activator of transcription 1, 91kDa	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	glycogen phosphorylase	0.0031	0.1106	0.0789
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.002	0.0383	0.004
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0032	0.1131	0.2272
Entamoeba histolytica	hypothetical protein	0.0042	0.1778	0.4239
Echinococcus granulosus	glycogen phosphorylase	0.0072	0.3675	0.3449
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0034	0.1271	0.1056
Brugia malayi	ImpB/MucB/SamB family protein	0.0046	0.2012	0.1902
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0383	0.1904
Trypanosoma brucei	unspecified product	0.002	0.0383	0.1904
Entamoeba histolytica	hypothetical protein	0.0042	0.1778	0.4239
Loa Loa (eye worm)	hypothetical protein	0.0029	0.099	0.0737
Schistosoma mansoni	glycogen phosphorylase	0.0072	0.3675	0.3449
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.1778	0.1485
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.002	0.0383	0.004
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2615	0.2352
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.1466	0.1161
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0383	0.1904
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.2615	0.2589
Schistosoma mansoni	hypothetical protein	0.0041	0.1731	0.1437
Echinococcus multilocularis	Glycosyl transferase, family 35	0.0072	0.3675	0.3449
Echinococcus multilocularis	dna polymerase eta	0.0046	0.2012	0.1728
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904
Echinococcus granulosus	glycogen phosphorylase	0.0072	0.3675	0.3449
Leishmania major	DNA polymerase eta, putative	0.0032	0.1161	0.4775
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2615	0.2352
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0072	0.3675	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0034	0.1271	0.096
Echinococcus multilocularis	geminin	0.0173	1	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.002	0.0383	0.004
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904
Schistosoma mansoni	glycogen phosphorylase	0.0072	0.3675	0.3449
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.2926	0.2944
Schistosoma mansoni	hypothetical protein	0.0173	1	1
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0159	0.9115	1
Onchocerca volvulus	Glycogen phosphorylase homolog	0.0072	0.3675	0.5
Schistosoma mansoni	hypothetical protein	0.0173	1	1
Loa Loa (eye worm)	STAT protein	0.0159	0.9115	1
Schistosoma mansoni	DNA polymerase eta	0.0046	0.2012	0.1728
Echinococcus multilocularis	dna polymerase kappa	0.002	0.0383	0.004
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.1778	0.1485
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.2926	0.2944
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0034	0.1271	0.096
Brugia malayi	carbohydrate phosphorylase	0.0072	0.3675	0.3797
Entamoeba histolytica	glycogen phosphorylase, putative	0.0072	0.3675	1
Trichomonas vaginalis	glycogen phosphorylase, putative	0.0072	0.3675	1
Brugia malayi	ImpB/MucB/SamB family protein	0.002	0.0383	0.0044
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.2926	0.2944
Trypanosoma cruzi	DNA polymerase eta, putative	0.0046	0.2012	1
Echinococcus granulosus	Glycosyl transferase family 35	0.0072	0.3675	0.3449
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.1778	0.1485
Schistosoma mansoni	hypothetical protein	0.0042	0.1778	0.1485
Echinococcus multilocularis	glycogen phosphorylase	0.0072	0.3675	0.3449
Loa Loa (eye worm)	hypothetical protein	0.006	0.2926	0.2944
Trypanosoma cruzi	DNA polymerase eta, putative	0.0032	0.1161	0.4775
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.2615	0.2352
Loa Loa (eye worm)	hypothetical protein	0.0041	0.1731	0.1581
Schistosoma mansoni	terminal deoxycytidyl transferase	0.002	0.0383	0.004
Entamoeba histolytica	glycogen phosphorylase, putative	0.0072	0.3675	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2615	0.2352
Trypanosoma brucei	DNA polymerase eta, putative	0.0046	0.2012	1
Giardia lamblia	Glycogen phosphorylase	0.0072	0.3675	1
Mycobacterium tuberculosis	Probable glycogen phosphorylase GlgP	0.0031	0.1106	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.2615	0.2352
Entamoeba histolytica	glycogen phosphorylase, putative	0.0031	0.1106	0.2195
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904
Leishmania major	DNA polymerase eta, putative	0.0046	0.2012	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0034	0.1271	0.1056
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.1466	0.1161
Entamoeba histolytica	hypothetical protein	0.0042	0.1778	0.4239
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0032	0.1161	0.5
Brugia malayi	hypothetical protein	0.0042	0.1778	0.1635
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2615	0.2352
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.2615	0.2589
Mycobacterium ulcerans	glycogen phosphorylase GlgP	0.0031	0.1106	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.2615	0.2352
Chlamydia trachomatis	glycogen phosphorylase	0.0072	0.3675	0.5
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.002	0.0383	0.0044
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904
Echinococcus multilocularis	glycogen phosphorylase	0.0072	0.3675	0.3449
Trypanosoma brucei	DNA polymerase IV, putative	0.002	0.0383	0.1904
Entamoeba histolytica	glycogen phosphorylase, putative	0.0031	0.1106	0.2195
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0032	0.1131	0.2272
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904
Entamoeba histolytica	glycogenphosphorylase, putative	0.0031	0.1106	0.2195
Entamoeba histolytica	hypothetical protein	0.0042	0.1778	0.4239
Echinococcus granulosus	dna polymerase eta	0.0046	0.2012	0.1728
Loa Loa (eye worm)	glycogen phosphorylase	0.0072	0.3675	0.3797
Loa Loa (eye worm)	hypothetical protein	0.0046	0.2012	0.1902
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.1731	0.1581
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904
Echinococcus granulosus	dna polymerase kappa	0.002	0.0383	0.004
Trypanosoma brucei	DNA polymerase kappa, putative	0.002	0.0383	0.1904

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 9.385 um	PUBCHEM_BIOASSAY: Dose response cell-based assay to measure STAT1 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 1263, 920, 862, 1303, 1310 ]	ChEMBL.	No reference
IC50 (functional)	> 55.7 um	PUBCHEM_BIOASSAY: Dose response counterscreen for STAT1 inhibitors: cell-based high throughput assay to measure STAT3 inhibition. (Class of assay: confirmatory) [Related pubchem assays: 920, 1310, 1263, 862, 1303 ]	ChEMBL.	No reference
Potency (functional)	3.9811 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	9.285 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	23.9341 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	89.1251 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

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1420733

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1303505