TDR Targets

Basic information

Technical information

TDR Targets ID: 1482304
Name: [2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl] 3-( 4-oxo-1H-quinazolin-2-yl)propanoate
MW: 430.434 | Formula: C19H18N4O6S
H donors: 3 H acceptors: 7 LogP: 1.11 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)S(=O)(=O)N)COC(=O)CCc1nc(O)c2c(n1)cccc2
InChi: 1S/C19H18N4O6S/c20-30(27,28)13-7-5-12(6-8-13)21-17(24)11-29-18(25)10-9-16-22-15-4-2-1-3-14(15)19(26)23-16/h1-8H,9-11H2,(H,21,24)(H2,20,27,28)(H,22,23,26)
InChiKey: DMQWYNVBWCOMGL-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

3-(4-oxo-1H-quinazolin-2-yl)propanoic acid [2-oxo-2-[(4-sulfamoylphenyl)amino]ethyl] ester
3-(4-keto-1H-quinazolin-2-yl)propionic acid [2-keto-2-[(4-sulfamoylphenyl)amino]ethyl] ester
T5281081
ZINC03323833

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470

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 multilocularis	cathepsin l cysteine peptidase	0.0084	0.2227	0.3406
Echinococcus multilocularis	cathepsin L cysteine protease	0.0084	0.2227	0.3406
Echinococcus multilocularis	cysteine protease	0.0084	0.2227	0.3406
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Leishmania major	cathepsin L-like protease	0.0084	0.2227	1
Brugia malayi	Papain family cysteine protease containing protein	0.0084	0.2227	0.257
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.122	0.0508
Loa Loa (eye worm)	cysteine protease	0.0084	0.2227	0.257
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Onchocerca volvulus		0.0084	0.2227	0.192
Leishmania major	cathepsin L-like protease	0.0084	0.2227	1
Leishmania major	cathepsin L-like protease	0.0084	0.2227	1
Trypanosoma cruzi	cruzipain precursor, putative	0.0084	0.2227	0.3838
Leishmania major	cathepsin L-like protease	0.0084	0.2227	1
Entamoeba histolytica	cysteine protease, putative	0.0084	0.2227	1
Echinococcus granulosus	cathepsin l1	0.0058	0.122	0.1628
Loa Loa (eye worm)	hypothetical protein	0.0058	0.122	0.1408
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0084	0.2227	0.3468
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Schistosoma mansoni	cathepsin F (C01 family)	0.0058	0.122	0.2102
Loa Loa (eye worm)	ctsf protein	0.0084	0.2227	0.257
Echinococcus multilocularis	cysteine protease	0.0084	0.2227	0.3406
Giardia lamblia	Cathepsin B precursor	0.0068	0.1617	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.2227	0.1597
Brugia malayi	cathepsin L-like precursor	0.0058	0.122	0.1408
Echinococcus multilocularis	cathepsin L	0.0046	0.075	0.0682
Loa Loa (eye worm)	hypothetical protein	0.0177	0.5802	0.6697
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Entamoeba histolytica	cysteine proteinase, putative	0.0084	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.2227	0.1597
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0084	0.2227	1
Brugia malayi	Cathepsin L-like precursor	0.0084	0.2227	0.257
Entamoeba histolytica	cysteine proteinase, putative	0.0084	0.2227	1
Loa Loa (eye worm)	fibroinase	0.0084	0.2227	0.257
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.2227	0.1597
Onchocerca volvulus	Cathepsin F homolog	0.0084	0.2227	0.192
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0058	0.122	0.0508
Toxoplasma gondii	cathepsin B	0.0068	0.1617	0.6696
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0058	0.122	0.2102
Schistosoma mansoni	cathepsin F (C01 family)	0.0084	0.2227	0.3838
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.075	0.0865
Onchocerca volvulus		0.0084	0.2227	0.192
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Plasmodium vivax	vivapain-3	0.0046	0.075	0.3366
Plasmodium vivax	vivapain-2	0.0084	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0084	0.2227	0.1597
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0046	0.075	0.1292
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.8664	1
Echinococcus multilocularis	cathepsin b	0.0177	0.5802	1
Trypanosoma cruzi	cysteine protease, putative	0.0046	0.075	0.1292
Brugia malayi	Cathepsin L-like precursor	0.0084	0.2227	0.257
Trichomonas vaginalis	set domain proteins, putative	0.0286	1	1
Trypanosoma cruzi	cysteine proteinase, putative	0.0046	0.075	0.1292
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.2227	0.3838
Brugia malayi	Pre-SET motif family protein	0.0251	0.8664	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Brugia malayi	Cathepsin L-like precursor	0.0058	0.122	0.1408
Echinococcus granulosus	cathepsin l1	0.0084	0.2227	0.3468
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.2227	0.1597
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0084	0.2227	0.1597
Giardia lamblia	Cathepsin B precursor	0.0068	0.1617	0.5
Brugia malayi	Cathepsin L-like precursor	0.0084	0.2227	0.257
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0084	0.2227	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.038	0.0438
Plasmodium vivax	vivapain-1	0.0046	0.075	0.3366
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0084	0.2227	1
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0046	0.075	0.1292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Loa Loa (eye worm)	hypothetical protein	0.0058	0.122	0.1408
Onchocerca volvulus		0.0084	0.2227	0.192
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Brugia malayi	Cathepsin L-like precursor	0.0058	0.122	0.1408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Plasmodium vivax	unspecified product	0.0046	0.075	0.3366
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.5802	1
Loa Loa (eye worm)	cathepsin B	0.0068	0.1617	0.1866
Brugia malayi	Papain family cysteine protease containing protein	0.0046	0.075	0.0865
Leishmania major	cathepsin L-like protease	0.0084	0.2227	1
Echinococcus granulosus	cysteine protease	0.0046	0.075	0.0769
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.2227	0.3838
Trypanosoma brucei	cysteine peptidase C (CPC)	0.0068	0.1617	0.5868
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0068	0.1617	0.2786
Onchocerca volvulus		0.0084	0.2227	0.192
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0177	0.5802	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Brugia malayi	Cathepsin L-like precursor	0.0084	0.2227	0.257
Onchocerca volvulus		0.0084	0.2227	0.192
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.038	0.0655
Entamoeba histolytica	cysteine proteinase, putative	0.0058	0.122	0.3182
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Onchocerca volvulus	Cathepsin L homolog	0.0084	0.2227	0.192
Leishmania major	cysteine peptidase A (CPA)	0.0084	0.2227	1
Brugia malayi	Cathepsin L-like precursor	0.0084	0.2227	0.257
Plasmodium vivax	vivapain-2	0.0084	0.2227	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.2227	0.257
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.2227	0.1597
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.2227	0.1597
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.038	0.0655
Echinococcus granulosus	cathepsin b	0.0177	0.5802	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0046	0.075	0.1292
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0058	0.122	0.1408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Plasmodium vivax	SET domain protein, putative	0.0036	0.038	0.1706
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.2227	0.1597
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.038	0.0655
Schistosoma mansoni	cathepsin F (C01 family)	0.0084	0.2227	0.3838
Trypanosoma cruzi	cysteine peptidase C (CPC), putative	0.0068	0.1617	0.2786
Onchocerca volvulus		0.0058	0.122	0.0873
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.5802	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Onchocerca volvulus		0.0084	0.2227	0.192
Trichomonas vaginalis	Clan CA, family C1, cathepsin B-like cysteine peptidase	0.0068	0.1617	0.0937
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0084	0.2227	0.3406
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.2227	0.1597
Brugia malayi	Pre-SET motif family protein	0.0036	0.038	0.0438
Brugia malayi	Cathepsin L-like precursor	0.0084	0.2227	0.257
Schistosoma mansoni	cathepsin B-like peptidase (C01 family)	0.0177	0.5802	1
Echinococcus granulosus	cathepsin L	0.0046	0.075	0.0769
Brugia malayi	cathepsin B-like cysteine proteinase	0.0177	0.5802	0.6697
Leishmania major	cathepsin L-like protease	0.0084	0.2227	1
Schistosoma mansoni	SmCB2 peptidase (C01 family)	0.0177	0.5802	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.038	0.0093
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0046	0.075	0.1292
Echinococcus multilocularis	cathepsin b	0.0177	0.5802	1
Loa Loa (eye worm)	hypothetical protein	0.0058	0.122	0.1408
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597
Trypanosoma cruzi	cysteine proteinase, putative	0.0046	0.075	0.1292
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0084	0.2227	0.257
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0084	0.2227	0.1597
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.2227	0.3838
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Echinococcus granulosus	cathepsin b	0.0177	0.5802	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.038	0.0655
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0084	0.2227	0.3468
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0084	0.2227	1
Onchocerca volvulus		0.0084	0.2227	0.192
Leishmania major	cathepsin L-like protease	0.0084	0.2227	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0084	0.2227	0.3838
Onchocerca volvulus	Cathepsin L homolog	0.0084	0.2227	0.192
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0084	0.2227	0.257
Toxoplasma gondii	cathepsin CPL	0.0084	0.2227	1
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0046	0.075	0.1292
Giardia lamblia	Cathepsin B precursor	0.0068	0.1617	0.5
Leishmania major	cathepsin L-like protease	0.0084	0.2227	1
Echinococcus granulosus	cathepsin L cysteine protease	0.0046	0.075	0.0769
Echinococcus multilocularis	cathepsin L cysteine protease	0.0084	0.2227	0.3406
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0084	0.2227	0.1597

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	5.8584 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)	6.3096 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)	11.6891 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)	89.1251 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

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: CHEMBL1715122

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 1482304