TDR Targets

Basic information

Technical information

TDR Targets ID: 1612979
Name: 2-hydroxyimino-N-(4-methoxyphenyl)-3-oxobutan amide
MW: 236.224 | Formula: C11H12N2O4
H donors: 2 H acceptors: 3 LogP: 2.19 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(/C(=O)Nc1ccc(cc1)OC)\C(=O)C
InChi: 1S/C11H12N2O4/c1-7(14)10(13-16)11(15)12-8-3-5-9(17-2)6-4-8/h3-6,16H,1-2H3,(H,12,15)/b13-10+
InChiKey: VUICOSUQFXRPIF-JLHYYAGUSA-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

(2E)-2-hydroxyimino-N-(4-methoxyphenyl)-3-oxobutanamide
2-hydroxyimino-N-(4-methoxyphenyl)-3-oxo-butanamide
(2E)-2-hydroxyimino-N-(4-methoxyphenyl)-3-oxo-butanamide
(2E)-2-hydroximino-3-keto-N-(4-methoxyphenyl)butyramide
2-hydroximino-3-keto-N-(4-methoxyphenyl)butyramide
NCI60_012075

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
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0153	0.0068	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0153	0.0068	0.5
Giardia lamblia	Kinase, CAMK CAMKL	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0153	0.0068	0.0082
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0153	0.0068	0.0068
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0153	0.0068	0.5
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0153	0.0068	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	serine/threonine kinase, putative	0.0153	0.0068	0.5
Giardia lamblia	Kinase, CAMK CAMKL	0.0153	0.0068	0.5
Echinococcus multilocularis	cyclin dependent kinase 9	0.0845	0.8258	0.8258
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0153	0.0068	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0153	0.0068	0.5
Entamoeba histolytica	protein kinase domain containing protein	0.0845	0.8258	1
Trichomonas vaginalis	AGC family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Giardia lamblia	Kinase, CAMK CAMKL	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0153	0.0068	0.0068
Trichomonas vaginalis	AGC family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Brugia malayi	Protein kinase domain containing protein	0.0153	0.0068	0.0082
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Loa Loa (eye worm)	haspin protein kinase	0.0153	0.0068	0.0082
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0153	0.0068	0.0082
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0153	0.0068	0.5
Trypanosoma brucei	protein kinase, putative	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0153	0.0068	0.0068
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Schistosoma mansoni	protein kinase	0.0153	0.0068	0.0082
Schistosoma mansoni	kinase	0.0845	0.8258	1
Schistosoma mansoni	serine/threonine kinase	0.0153	0.0068	0.0082
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0153	0.0068	0.0082
Echinococcus multilocularis	cyclin dependent kinase 9	0.0993	1	1
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0153	0.0068	0.0068
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Brugia malayi	Cell division protein kinase 2	0.0153	0.0068	0.0082
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Plasmodium falciparum	MO15-related protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0153	0.0068	0.0082
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0153	0.0068	0.0082
Echinococcus granulosus	cyclin dependent kinase 9	0.0845	0.8258	0.8258
Trichomonas vaginalis	AGC family protein kinase	0.0153	0.0068	0.5
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Entamoeba histolytica	cell division protein kinase 2, putative	0.0153	0.0068	0.0082
Schistosoma mansoni	serine/threonine protein kinase	0.0845	0.8258	1
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Loa Loa (eye worm)	CMGC/CDK/CDK9 protein kinase	0.0845	0.8258	1
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0153	0.0068	0.5
Brugia malayi	cyclin-dependent kinase 9	0.0845	0.8258	1
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0153	0.0068	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0153	0.0068	0.5
Leishmania major	serine/threonine kinase-like protein, putative	0.0153	0.0068	0.5
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Echinococcus granulosus	mitogen activated protein kinase 15	0.0153	0.0068	0.0068
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0153	0.0068	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	-4	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	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 UO-31 Renal 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 ACHN Renal 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 HL-60(TB) Leukemia 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 HOP-92 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 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 SK-MEL-5 Melanoma 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 MALME-3M 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: CHEMBL1980357

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1612979