TDR Targets

Basic information

Technical information

TDR Targets ID: 1460879
Name: N-[(4-methylphenyl)methyl]-3,4-dihydro-1H-[1, 4]oxazino[4,3-a]benzimidazole-8-carboxamide
MW: 321.373 | Formula: C19H19N3O2
H donors: 1 H acceptors: 2 LogP: 1.97 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)CNC(=O)c1ccc2c(c1)nc1n2CCOC1
InChi: 1S/C19H19N3O2/c1-13-2-4-14(5-3-13)11-20-19(23)15-6-7-17-16(10-15)21-18-12-24-9-8-22(17)18/h2-7,10H,8-9,11-12H2,1H3,(H,20,23)
InChiKey: RFGVOHVTXLSMLK-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-(4-methylbenzyl)-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazole-8-carboxamide
G730-1124
NCGC00133368-01

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	tumor protein p53	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038
Echinococcus granulosus	tumor protein p63	Get druggable targets OG5_140038	All targets in OG5_140038

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	0.006	0.0072	0.0065
Onchocerca volvulus		0.0038	0.0043	0.006
Loa Loa (eye worm)	CXXC zinc finger family protein	0.003	0.0033	0.0027
Loa Loa (eye worm)	hypothetical protein	0.1306	0.1685	0.168
Echinococcus multilocularis	acetylcholinesterase	0.773	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0043	0.0237
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0043	0.0037
Brugia malayi	CXXC zinc finger family protein	0.003	0.0033	0.0027
Onchocerca volvulus		0.1306	0.1685	1
Brugia malayi	Carboxylesterase family protein	0.1306	0.1685	0.168
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0043	0.5
Echinococcus granulosus	neuroligin	0.1306	0.1685	0.1682
Schistosoma mansoni	cpg binding protein	0.0032	0.0035	0.0035
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.024	0.0305	0.1597
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1306	0.1685	0.1685
Brugia malayi	Carboxylesterase family protein	0.1306	0.1685	0.168
Loa Loa (eye worm)	acetylcholinesterase 1	0.773	1	1
Loa Loa (eye worm)	hypothetical protein	0.773	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0043	0.0037
Trichomonas vaginalis	esterase, putative	0.0038	0.0043	0.0237
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.773	1	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0043	0.0237
Schistosoma mansoni	hypothetical protein	0.0427	0.0547	0.0547
Schistosoma mansoni	acetylcholinesterase	0.1306	0.1685	0.1685
Echinococcus granulosus	BC026374 protein S09 family	0.1306	0.1685	0.1682
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1306	0.1685	0.1685
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0043	0.0037
Echinococcus multilocularis	acetylcholinesterase	0.773	1	1
Onchocerca volvulus		0.0038	0.0043	0.006
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.1306	0.1685	0.1682
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0056	0.0056
Onchocerca volvulus		0.006	0.0072	0.0233
Loa Loa (eye worm)	carboxylesterase	0.773	1	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0043	0.0037
Onchocerca volvulus		0.1306	0.1685	1
Echinococcus granulosus	cpg binding protein	0.0032	0.0035	0.0031
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0043	0.0037
Echinococcus multilocularis	cpg binding protein	0.0032	0.0035	0.0031
Onchocerca volvulus		0.1306	0.1685	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0043	0.0237
Echinococcus multilocularis	neuroligin	0.1306	0.1685	0.1682
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0043	0.5
Echinococcus granulosus	dnaJ subfamily B	0.0427	0.0547	0.0543
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0043	0.5
Trichomonas vaginalis	spcc417.12 protein, putative	0.1306	0.1685	1
Echinococcus multilocularis	tumor protein p63	0.0408	0.0523	0.0519
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0043	0.0037
Loa Loa (eye worm)	hypothetical protein	0.1306	0.1685	0.168
Loa Loa (eye worm)	hypothetical protein	0.1306	0.1685	0.168
Onchocerca volvulus		0.1306	0.1685	1
Mycobacterium tuberculosis	Carboxylesterase LipT	0.1306	0.1685	1
Echinococcus granulosus	acetylcholinesterase	0.773	1	1
Schistosoma mansoni	cpg binding protein	0.0032	0.0035	0.0035
Brugia malayi	Carboxylesterase family protein	0.1306	0.1685	0.168
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0056	0.0052
Schistosoma mansoni	gliotactin	0.1306	0.1685	0.1685
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0056	0.0052
Echinococcus granulosus	tumor protein p63	0.0408	0.0523	0.0519
Mycobacterium ulcerans	carboxylesterase, LipT	0.1306	0.1685	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0043	0.0043
Loa Loa (eye worm)	hypothetical protein	0.1306	0.1685	0.168
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.0043	0.5
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0006	0.0002
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0056	0.0056
Echinococcus granulosus	carboxylesterase 5A	0.773	1	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0056	0.0052
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0056	0.005
Brugia malayi	hypothetical protein	0.1306	0.1685	0.168
Loa Loa (eye worm)	hypothetical protein	0.1306	0.1685	0.168
Echinococcus granulosus	acetylcholinesterase	0.773	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.1306	0.1685	0.1685
Echinococcus multilocularis	carboxylesterase 5A	0.773	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0064	0.0077	0.0077
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0043	0.5
Loa Loa (eye worm)	hypothetical protein	0.773	1	1
Loa Loa (eye worm)	carboxylesterase	0.1306	0.1685	0.168
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0043	0.0237
Brugia malayi	beta-lactamase family protein	0.0038	0.0043	0.0037
Brugia malayi	beta-lactamase	0.0038	0.0043	0.0037
Echinococcus multilocularis	para nitrobenzyl esterase	0.1306	0.1685	0.1682
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0043	0.5
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.1306	0.1685	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0043	0.0043
Loa Loa (eye worm)	carboxylesterase	0.1306	0.1685	0.168
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0056	0.0052
Schistosoma mansoni	cpg binding protein	0.003	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.1306	0.1685	0.168
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.0072	0.0072
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0043	0.0039
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0006	0.0002
Brugia malayi	Carboxylesterase family protein	0.1306	0.1685	0.168
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0043	0.0037
Echinococcus multilocularis	BC026374 protein (S09 family)	0.1306	0.1685	0.1682
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.1306	0.1685	0.1682
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0043	0.0037
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0007	0.0004	0.0004
Onchocerca volvulus		0.1306	0.1685	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0043	0.0237
Onchocerca volvulus		0.0038	0.0043	0.006
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0056	0.005
Schistosoma mansoni	neuroligin 3 (S09 family)	0.1306	0.1685	0.1685
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.1306	0.1685	1
Leishmania major	hypothetical protein, conserved	0.0038	0.0043	0.5
Brugia malayi	Carboxylesterase family protein	0.773	1	1
Echinococcus multilocularis	dnaJ subfamily B	0.0427	0.0547	0.0543
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1306	0.1685	0.1685
Brugia malayi	beta-lactamase family protein	0.0038	0.0043	0.0037
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0057	0.0068	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0043	0.0037
Echinococcus granulosus	para nitrobenzyl esterase	0.1306	0.1685	0.1682
Loa Loa (eye worm)	hypothetical protein	0.1306	0.1685	0.168
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.1306	0.1685	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0043	0.0039

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 0.1 um	PUBCHEM_BIOASSAY: qHTS Screen for Compounds that Selectively Target Cancer Cells with p53 Mutations: Cytotoxicity of p53ts Cells at the Permissive Temperature. (Class of assay: confirmatory) [Related pubchem assays: 902 ]	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: CHEMBL1612865

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 1460879