TDR Targets

Basic information

Technical information

TDR Targets ID: 1256408
Name: N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,2-dihydroq uinazolin-3-yl]benzenesulfonamide
MW: 439.484 | Formula: C22H21N3O5S
H donors: 2 H acceptors: 3 LogP: 3.56 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(ccc1OC)C1Nc2ccccc2C(=O)N1NS(=O)(=O)c1ccccc1
InChi: 1S/C22H21N3O5S/c1-29-19-13-12-15(14-20(19)30-2)21-23-18-11-7-6-10-17(18)22(26)25(21)24-31(27,28)16-8-4-3-5-9-16/h3-14,21,23-24H,1-2H3
InChiKey: WNVVQTKZABIKAX-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

N-[2-(3,4-dimethoxyphenyl)-4-keto-1,2-dihydroquinazolin-3-yl]benzenesulfonamide
SMR000313289
A3426/0145354
MLS000686446
N-[2-(3,4-dimethoxyphenyl)-4-oxo-1,4-dihydroquinazolin-3(2H)-yl]benzenesulfonamide

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
Echinococcus granulosus	endoplasmin	0.0961	0.784	0.7443
Trypanosoma brucei	heat shock protein, putative	0.1207	1	1
Leishmania major	heat shock protein 83-1	0.1207	1	1
Echinococcus multilocularis	heat shock protein	0.1207	1	1
Plasmodium vivax	heat shock protein, putative	0.0495	0.3739	0.2588
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0961	0.784	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0961	0.784	0.7443
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.0281	0.0281
Giardia lamblia	Grp94/Hsp90	0.0961	0.784	0.7443
Leishmania major	heat shock protein 83-1	0.1207	1	1
Entamoeba histolytica	heat shock protein 90, putative	0.1207	1	1
Leishmania major	heat shock protein 83-1	0.1207	1	1
Trypanosoma brucei	heat shock protein, putative	0.1207	1	1
Echinococcus granulosus	geminin	0.0331	0.2298	0.0882
Leishmania major	heat shock protein 83-1	0.1207	1	1
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0246	0.1553	0.1553
Trichomonas vaginalis	heat shock protein, putative	0.0495	0.3739	0.2588
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0246	0.1553	0.1553
Plasmodium falciparum	heat shock protein 90, putative	0.0495	0.3739	0.2588
Trypanosoma brucei	heat shock protein, putative	0.1207	1	1
Mycobacterium ulcerans	heat shock protein 90	0.0961	0.784	1
Trypanosoma brucei	heat shock protein 90, putative	0.1207	1	1
Trypanosoma brucei	heat shock protein, putative	0.1207	1	1
Schistosoma mansoni	heat shock protein	0.0495	0.3739	0.3739
Brugia malayi	heat shock protein 90	0.1207	1	1
Leishmania major	heat shock protein 83-1	0.1207	1	1
Leishmania major	heat shock protein 83-1	0.1207	1	1
Schistosoma mansoni	DNA topoisomerase II	0.0246	0.1553	0.1553
Schistosoma mansoni	hypothetical protein	0.0331	0.2298	0.2298
Plasmodium falciparum	endoplasmin, putative	0.074	0.5899	0.5145
Brugia malayi	Hsp90 protein	0.0495	0.3739	0.3739
Leishmania major	heat shock protein, putative	0.0495	0.3739	0.2588
Entamoeba histolytica	heat shock protein 90, putative	0.1207	1	1
Trypanosoma brucei	heat shock protein, putative	0.1207	1	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0961	0.784	1
Echinococcus granulosus	heat shock protein	0.1207	1	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.0281	0.0281
Trypanosoma cruzi	heat shock protein 85, putative	0.0961	0.784	0.7443
Plasmodium falciparum	heat shock protein 90	0.1207	1	1
Plasmodium vivax	endoplasmin, putative	0.1207	1	1
Trypanosoma brucei	heat shock protein, putative	0.1207	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0246	0.1553	0.5
Trypanosoma brucei	Heat shock protein 83, putative	0.1207	1	1
Trichomonas vaginalis	heat shock protein, putative	0.0961	0.784	0.7443
Leishmania major	heat shock protein 83-1	0.1207	1	1
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0495	0.3739	0.2588
Schistosoma mansoni	heat shock protein	0.1207	1	1
Loa Loa (eye worm)	heat shock protein 75	0.0495	0.3739	0.3739
Trypanosoma cruzi	heat shock protein 85, putative	0.1207	1	1
Leishmania major	heat shock protein 83-1	0.1207	1	1
Brugia malayi	Probable DNA topoisomerase II	0.0246	0.1553	0.1553
Schistosoma mansoni	pyruvate dehydrogenase	0.0246	0.1553	0.1553
Plasmodium vivax	heat shock protein 90, putative	0.0495	0.3739	0.2588
Trypanosoma cruzi	heat shock protein 90, putative	0.1207	1	1
Trichomonas vaginalis	endoplasmin, putative	0.074	0.5899	0.5145
Leishmania major	heat shock protein 83-1	0.1207	1	1
Trypanosoma cruzi	heat shock protein, putative	0.0495	0.3739	0.2588
Leishmania major	heat shock protein 83-1	0.1207	1	1
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1553	0.1553
Echinococcus multilocularis	endoplasmin	0.0961	0.784	0.7443
Trichomonas vaginalis	heat shock protein, putative	0.0961	0.784	0.7443
Trypanosoma cruzi	heat shock protein 90, putative	0.0712	0.5654	0.4855
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0961	0.784	0.7443
Toxoplasma gondii	heat shock protein 90, putative	0.1207	1	1
Trichomonas vaginalis	heat shock protein, putative	0.074	0.5899	0.5145
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0246	0.1553	0.5
Echinococcus multilocularis	heat shock protein 90	0.0961	0.784	0.7443
Trypanosoma brucei	heat shock protein 90, putative	0.1207	1	1
Brugia malayi	kinase, mitochondrial precursor	0.0246	0.1553	0.1553
Leishmania major	heat shock protein 83-1	0.1207	1	1
Trypanosoma cruzi	heat shock protein 85, putative	0.1207	1	1
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1553	0.1553
Schistosoma mansoni	hypothetical protein	0.0331	0.2298	0.2298
Schistosoma mansoni	heat shock protein	0.1207	1	1
Giardia lamblia	Heat shock protein HSP 90-alpha	0.1207	1	1
Treponema pallidum	heat shock protein 90	0.0961	0.784	1
Toxoplasma gondii	Hsp90 domain-containing protein	0.0495	0.3739	0.2588
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.0281	0.0281
Leishmania major	heat shock protein 83-1	0.1207	1	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.1207	1	1
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0495	0.3739	0.2588
Trichomonas vaginalis	heat shock protein, putative	0.1207	1	1
Leishmania major	heat shock protein 83-1	0.1207	1	1
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0961	0.784	0.7443
Trichomonas vaginalis	heat shock protein, putative	0.0961	0.784	0.7443
Leishmania major	heat shock protein 83-1	0.1207	1	1
Toxoplasma gondii	heat shock protein HSP90	0.1207	1	1
Echinococcus multilocularis	heat shock protein 90	0.1207	1	1
Loa Loa (eye worm)	TOPoisomerase family member	0.0246	0.1553	0.1553
Loa Loa (eye worm)	heat shock protein 90	0.1207	1	1
Chlamydia trachomatis	DNA gyrase subunit B	0.0246	0.1553	0.5
Echinococcus multilocularis	geminin	0.0331	0.2298	0.0882
Trypanosoma cruzi	heat shock protein 85, putative	0.1207	1	1
Trypanosoma brucei	heat shock protein, putative	0.1207	1	1
Loa Loa (eye worm)	endoplasmin	0.1207	1	1
Loa Loa (eye worm)	hypothetical protein	0.0246	0.1553	0.1553
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0825	0.6639	0.6021
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0281	0.0281
Leishmania major	heat shock protein 83-1	0.1207	1	1
Toxoplasma gondii	heat shock protein 75, putative	0.0495	0.3739	0.2588
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0495	0.3739	0.2588
Echinococcus granulosus	heat shock protein 90	0.1207	1	1
Leishmania major	heat shock protein 83-1	0.1207	1	1
Leishmania major	heat shock protein 83-1	0.1207	1	1
Plasmodium falciparum	heat shock protein 90, putative	0.0495	0.3739	0.2588
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0961	0.784	1
Trypanosoma brucei	heat shock protein 84, putative	0.0495	0.3739	0.2588
Trypanosoma cruzi	heat shock protein 90, putative	0.0961	0.784	0.7443
Echinococcus granulosus	heat shock protein 90	0.0961	0.784	0.7443
Trypanosoma brucei	heat shock protein, putative	0.1207	1	1
Schistosoma mansoni	endoplasmin	0.1207	1	1
Schistosoma mansoni	endoplasmin	0.1207	1	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0495	0.3739	1
Plasmodium vivax	heat shock protein 86, putative	0.1207	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	10.4179 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)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6427 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6427 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of RanGTP induced Rango (Ran-regulated importin-beta cargo) - Importin beta complex dissociation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540262]	ChEMBL.	No reference
Potency (functional)	35.4813 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
Potency (functional)	= 37.6505 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 (binding)	= 50.1187 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)	56.2341 uM	PUBCHEM_BIOASSAY: qHTS Assay for Substrates of Mammalian Selenoprotein Thioredoxin Reductase 1 (TrxR1): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488771]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1340505

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 1256408