TDR Targets

Basic information

Technical information

TDR Targets ID: 1629184
Name: [(Z)-(2,4-dioxochroman-3-ylidene)methyl]urea
MW: 232.192 | Formula: C11H8N2O4
H donors: 2 H acceptors: 3 LogP: 0.79 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)N/C=C/1\C(=O)Oc2c(C1=O)cccc2
InChi: 1S/C11H8N2O4/c12-11(16)13-5-7-9(14)6-3-1-2-4-8(6)17-10(7)15/h1-5H,(H3,12,13,16)/b7-5-
InChiKey: LWGSKPKQSNQWNW-ALCCZGGFSA-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

(2,4-dioxochroman-3-ylidene)methylurea
[(Z)-(2,4-dioxo-3-chromanylidene)methyl]urea
(2,4-dioxo-3-chromanylidene)methylurea
[(Z)-(2,4-diketochroman-3-ylidene)methyl]urea
(2,4-diketochroman-3-ylidene)methylurea
NCI60_019365
AIDS-141192
AIDS141192
N-((2,4-Dioxo-2H-chromen-3(4H)-ylidene)methyl)urea
NSC655963
7P-503S
ZINC01398826

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)	hypothetical protein	0.0212	0.0388	0.0267
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0574	0.2716	0.1803
Loa Loa (eye worm)	hypothetical protein	0.0325	0.1114	0.1002
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.1707	1	1
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0325	0.1114	0.0802
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.1707	1	1
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.1707	1	1
Trypanosoma cruzi	target of rapamycin kinase 3	0.1359	0.7767	0.7688
Trichomonas vaginalis	conserved hypothetical protein	0.0362	0.135	0.122
Loa Loa (eye worm)	hypothetical protein	0.0362	0.135	0.1241
Trichomonas vaginalis	PIKK family atypical protein kinase	0.127	0.7192	0.7149
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.5589	0.5523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1011	0.5524	0.5457
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0921	0.4949	0.4873
Trichomonas vaginalis	PIKK family atypical protein kinase	0.127	0.7192	0.7149
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1109	0.6155	0.6097
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0205	0.0339	0.0339
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0325	0.1114	0.0521
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0212	0.0388	0.0051
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.1707	1	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0574	0.2716	0.246
Loa Loa (eye worm)	phosphatidylinositol 3	0.0269	0.0751	0.0635
Trichomonas vaginalis	PIKK family atypical protein kinase	0.127	0.7192	0.7149
Loa Loa (eye worm)	phosphatidylinositol 3	0.0574	0.2716	0.2624
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0325	0.1114	0.0802
Trichomonas vaginalis	PIKK family atypical protein kinase	0.127	0.7192	0.7149
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0325	0.1114	0.1002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.127	0.7192	0.7149
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0205	0.0339	0.0217
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0923	0.4958	0.4882
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1707	1	1
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0574	0.2716	0.223
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.0249	0.0625	0.0507
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.1359	0.7767	0.7487
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0325	0.1114	0.098
Toxoplasma gondii	target of rapamycin (TOR), putative	0.127	0.7192	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1146	0.6392	0.6338
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.0249	0.0625	0.0507
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0923	0.4958	0.4882
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1358	0.7758	0.7724
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0288	0.0876	0.0267
Loa Loa (eye worm)	hypothetical protein	0.0347	0.1256	0.1146
Loa Loa (eye worm)	phosphatidylinositol 3	0.1707	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1707	1	1
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0574	0.2716	0.2624
Loa Loa (eye worm)	hypothetical protein	0.0249	0.0625	0.0507
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1457	0.8398	0.8373
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0325	0.1114	0.1002
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0809	0.4224	0.35
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1358	0.7758	0.7724
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.1707	1	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.1707	1	1
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0362	0.135	0.039
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1011	0.5524	0.5457
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0325	0.1114	0.098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0921	0.4949	0.4873
Echinococcus granulosus	serine protein kinase ATM	0.0325	0.1114	0.1002
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.0205	0.0339	0.0194
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0574	0.2716	0.2624
Giardia lamblia	GTOR	0.1707	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.5589	0.5523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0921	0.4949	0.4873
Trichomonas vaginalis	conserved hypothetical protein	0.0249	0.0625	0.0484
Trichomonas vaginalis	conserved hypothetical protein	0.0212	0.0388	0.0244
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.0205	0.0339	0.0194
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1358	0.7758	0.7724
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.1359	0.7767	0.6934
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0923	0.4958	0.4882
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0325	0.1114	0.1114
Entamoeba histolytica	hypothetical protein	0.0325	0.1114	0.1114
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.0288	0.0876	0.0761
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1358	0.7758	0.7724
Entamoeba histolytica	protein kinase rad3, putative	0.0325	0.1114	0.1114
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0185	0.0215	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0923	0.4958	0.4882
Trichomonas vaginalis	PIKK family atypical protein kinase	0.127	0.7192	0.7149
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.0288	0.0876	0.0761
Entamoeba histolytica	hypothetical protein	0.0185	0.0215	0.0215
Trichomonas vaginalis	PIKK family atypical protein kinase	0.127	0.7192	0.7149
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.1707	1	1
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.1707	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.046	0.1981	0.186
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1358	0.7758	0.7724
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0205	0.0339	0.0194
Echinococcus multilocularis	serine protein kinase ATM	0.0325	0.1114	0.1002
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0574	0.2716	0.246
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0574	0.2716	0.2606
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.1707	1	1
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0325	0.1114	0.1002
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0574	0.2716	0.2606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0212	0.0388	0.0244
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0574	0.2716	0.2606
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.071	0.3593	0.279
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0574	0.2716	0.1803
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0325	0.1114	0.1002
Brugia malayi	FAT domain containing protein	0.0249	0.0625	0.0507
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0325	0.1114	0.0521
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.1707	1	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0574	0.2716	0.2624
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0574	0.2716	0.2606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1021	0.5589	0.5523
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0574	0.2716	0.2606
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0325	0.1114	0.098
Trichomonas vaginalis	PIKK family atypical protein kinase	0.1707	1	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.1707	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4.496	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the UO-31 Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.317	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the ACHN Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.269	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HL-60(TB) Leukemia cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.245	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the HOP-92 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.191	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SN12C Renal cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4.066	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SF-539 Central Nervous System cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the NCI-H23 Non-Small Cell Lung cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
GI50 (functional)	-4	PUBCHEM_BIOASSAY: NCI human tumor cell line growth inhibition assay. Data for the SK-MEL-5 Melanoma cell line. (Class of assay: confirmatory)	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: CHEMBL1997493

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1629184