TDR Targets

Basic information

Technical information

TDR Targets ID: 321834
Name: 1-(4-methylphenyl)-3-[4-(1-oxo-2,3-dihydroiso indol-4-yl)phenyl]urea
MW: 357.405 | Formula: C22H19N3O2
H donors: 3 H acceptors: 2 LogP: 3.33 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)C)Nc1ccc(cc1)c1cccc2c1CNC2=O
InChi: 1S/C22H19N3O2/c1-14-5-9-16(10-6-14)24-22(27)25-17-11-7-15(8-12-17)18-3-2-4-19-20(18)13-23-21(19)26/h2-12H,13H2,1H3,(H,23,26)(H2,24,25,27)
InChiKey: HDYAQZTYJSNOEK-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

1-[4-(1-oxoisoindolin-4-yl)phenyl]-3-(p-tolyl)urea
1-[4-(1-oxo-4-isoindolinyl)phenyl]-3-(p-tolyl)urea
1-[4-(1-ketoisoindolin-4-yl)phenyl]-3-(p-tolyl)urea
3-(4-methylphenyl)-1-[4-(1-oxo-2,3-dihydroisoindol-4-yl)phenyl]urea
3-(4-methylphenyl)-1-[4-(1-oxoisoindolin-4-yl)phenyl]urea
3-(4-methylphenyl)-1-[4-(1-oxo-4-isoindolinyl)phenyl]urea
1-[4-(1-ketoisoindolin-4-yl)phenyl]-3-(4-methylphenyl)urea
isoindolinone analog 4d

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	kinase insert domain receptor	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Onchocerca volvulus		Get druggable targets OG5_130320	All targets in OG5_130320
Brugia malayi	Immunoglobulin I-set domain containing protein	Get druggable targets OG5_130320	All targets in OG5_130320
Loa Loa (eye worm)	TK/KIN16 protein kinase	Get druggable targets OG5_130320	All targets in OG5_130320
Onchocerca volvulus	Tyrosine kinase homolog	Get druggable targets OG5_130320	All targets in OG5_130320

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
Giardia lamblia	Ribonuclease H	0.0223	0.2523	1
Brugia malayi	hypothetical protein	0.0019	0.0035	0.0139
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0423	0.1679
Brugia malayi	RNase H family protein	0.0223	0.2523	1
Mycobacterium tuberculosis	Possible maturase	0.0019	0.0035	0.5
Brugia malayi	RNase H family protein	0.0223	0.2523	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Echinococcus granulosus	roundabout 2	0.0018	0.002	0.0051
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0019	0.0035	0.0087
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0019	0.0035	0.0087
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0242	0.2754	0.2728
Schistosoma mansoni	phosphoglucomutase	0.0223	0.2523	0.2523
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0423	0.2089
Trypanosoma brucei	unspecified product	0.0242	0.2754	0.2728
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0227	0.0902
Onchocerca volvulus		0.005	0.0419	0.1542
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Schistosoma mansoni	hypothetical protein	0.0035	0.0227	0.0227
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0019	0.0035	0.0087
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0019	0.0035	0.0087
Leishmania major	ribonuclease H1, putative	0.0223	0.2523	0.5
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0019	0.0035	0.0035
Echinococcus granulosus	ribonuclease H1	0.0223	0.2523	0.6303
Echinococcus multilocularis	tumor protein p63	0.0345	0.4003	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0019	0.0035	0.0087
Trypanosoma brucei	hypothetical protein, conserved	0.0242	0.2754	0.2728
Trypanosoma brucei	ingi protein (ORF1)	0.0242	0.2754	0.2728
Brugia malayi	reverse transcriptase	0.0019	0.0035	0.0139
Echinococcus multilocularis	roundabout 2	0.0018	0.002	0.0051
Echinococcus granulosus	RNA directed DNA polymerase	0.0019	0.0035	0.0087
Brugia malayi	hypothetical protein	0.0019	0.0035	0.0139
Schistosoma mansoni	phosphoglucomutase	0.0223	0.2523	0.2523
Loa Loa (eye worm)	hypothetical protein	0.005	0.0419	0.2065
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Trypanosoma cruzi	ribonuclease H1, putative	0.0223	0.2523	1
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0223	0.2523	0.5
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0019	0.0035	0.0087
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0227	0.1122
Echinococcus granulosus	KRAB A domain containing protein	0.0019	0.0035	0.0087
Brugia malayi	reverse transcriptase	0.0019	0.0035	0.0139
Echinococcus granulosus	tumor protein p63	0.0345	0.4003	1
Brugia malayi	Zinc knuckle family protein	0.0019	0.0035	0.0139
Brugia malayi	reverse transcriptase	0.0019	0.0035	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0018	0.002	0.01
Trypanosoma brucei	ribonuclease H1	0.0223	0.2523	0.2497
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Onchocerca volvulus	Tyrosine kinase homolog	0.0171	0.1881	0.7419
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0183	0.2027	1
Loa Loa (eye worm)	hypothetical protein	0.0018	0.002	0.01
Brugia malayi	hypothetical protein	0.0019	0.0035	0.0139
Brugia malayi	RNase H family protein	0.0223	0.2523	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0019	0.0035	0.0087
Onchocerca volvulus		0.0167	0.1834	0.7229
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Schistosoma mansoni	hypothetical protein	0.0019	0.0035	0.0035
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0423	0.1679
Echinococcus multilocularis	ribonuclease H1	0.0223	0.2523	0.6303
Brugia malayi	hypothetical protein	0.0019	0.0035	0.0139
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0019	0.0035	0.0087
Schistosoma mansoni	serine/threonine protein kinase	0.0019	0.0035	0.0035
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0019	0.0035	0.0087
Trypanosoma brucei	ingi protein (ORF1)	0.0242	0.2754	0.2728
Schistosoma mansoni	cellular tumor antigen P53	0.005	0.0419	0.0419
Trypanosoma cruzi	ribonuclease H1, putative	0.0223	0.2523	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0019	0.0035	0.0087
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0019	0.0035	0.0087
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0019	0.0035	0.0087
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Schistosoma mansoni	hypothetical protein	0.0019	0.0035	0.0035
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0019	0.0035	0.0087
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Trypanosoma brucei	RNA helicase, putative	0.0837	1	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0423	0.2089
Onchocerca volvulus	Ribonuclease H1 homolog	0.0223	0.2523	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0019	0.0035	0.0139
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0019	0.0035	0.0087
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0183	0.2027	0.8036
Treponema pallidum	ribonuclease H (rnhA)	0.0223	0.2523	0.5
Trichomonas vaginalis	ribonuclease H1, putative	0.0223	0.2523	1
Schistosoma mansoni	protein kinase	0.0019	0.0035	0.0035
Schistosoma mansoni	phosphoglucomutase	0.0223	0.2523	0.2523
Brugia malayi	Zinc knuckle family protein	0.0019	0.0035	0.0139
Echinococcus multilocularis	RNA directed DNA polymerase	0.0019	0.0035	0.0087
Toxoplasma gondii	ribonuclease HI protein	0.0223	0.2523	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 430 nM	Inhibition of Vascular endothelial growth factor receptor 2 (KDR)	ChEMBL.	15357981
IC50 (binding)	= 430 nM	Inhibition of Vascular endothelial growth factor receptor 2 (KDR)	ChEMBL.	15357981

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

PubChem: 5329887

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 321834