TDR Targets

Basic information

Technical information

TDR Targets ID: 1697865
Name: (NE)-N-[3-[[3-[[(3E)-3-hydroxyiminobutan-2-yl ]amino]-2,2-dimethylpropyl]amino]butan-2-ylid ene]hydroxylamine
MW: 272.387 | Formula: C13H28N4O2
H donors: 4 H acceptors: 2 LogP: 1.38 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(/C(=N/O)/C)NCC(CNC(/C(=N/O)/C)C)(C)C
InChi: 1S/C13H28N4O2/c1-9(11(3)16-18)14-7-13(5,6)8-15-10(2)12(4)17-19/h9-10,14-15,18-19H,7-8H2,1-6H3/b16-11+,17-12+
InChiKey: BPNZYADGDZPRTK-MAEUFBSDSA-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

3-[[3-[[(2E)-2-hydroxyimino-1-methyl-propyl]amino]-2,2-dimethyl-propyl]amino]butan-2-one oxime
3-[[3-[[(2E)-2-hydroxyimino-1-methylpropyl]amino]-2,2-dimethylpropyl]amino]butan-2-one oxime
3-[[3-[[(2E)-2-hydroximino-1-methyl-propyl]amino]-2,2-dimethyl-propyl]amino]butan-2-one oxime
(NE)-N-[3-[[3-[[(3E)-3-hydroxyiminobutan-2-yl]amino]-2,2-dimethyl-propyl]amino]butan-2-ylidene]hydroxylamine

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
Schistosoma mansoni	dishevelled	0.0009	0.0146	0.0162
Schistosoma mansoni	DNA polymerase eta	0.0019	0.0647	0.0717
Schistosoma mansoni	hypothetical protein	0.0017	0.0575	0.0637
Loa Loa (eye worm)	hypothetical protein	0.0085	0.4205	0.4205
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0296	0.0328
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0296	0.0296
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0296	0.0296
Brugia malayi	RNA binding protein	0.0067	0.3273	0.3273
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0296	0.0328
Schistosoma mansoni	dishevelled	0.0009	0.0146	0.0162
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0146	0.0162
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0575	0.0637
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.2603	0.2603
Trypanosoma brucei	unspecified product	0.0019	0.0647	1
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0575	0.0575
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0647	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1
Echinococcus granulosus	peptidase Clp S14 family	0.0055	0.2631	0.2915
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0085	0.4205	0.4659
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.1664	0.1664
Echinococcus granulosus	geminin	0.0174	0.9026	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0575	0.0575
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0575	0.0637
Loa Loa (eye worm)	RNA binding protein	0.0067	0.3273	0.3273
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0296	0.0296
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0296	0.0328
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0055	0.2631	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0647	1
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0009	0.0146	0.0146
Trichomonas vaginalis	DNA polymerase eta, putative	0.0019	0.0647	1
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0019	0.0647	0.0717
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0296	0.0328
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0296	0.0328
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0575	0.0575
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0296	0.0296
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0296	0.0296
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0647	0.0647
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0575	0.0637
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0296	0.0328
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0146	0.0162
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0296	0.0296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0296	0.0296
Brugia malayi	nuclear hormone receptor	0.0012	0.0296	0.0296
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0146	0.0146
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4205	1
Schistosoma mansoni	hypothetical protein	0.0017	0.0575	0.0637
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0296	0.0296
Schistosoma mansoni	hypothetical protein	0.0038	0.1664	0.1844
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0296	0.0328
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0019	0.0647	0.0717
Schistosoma mansoni	z-protein (S1r protein)	0.0009	0.0146	0.0162
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0296	0.0328
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0575	0.0575
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0647	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0085	0.4205	1
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0296	0.0296
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4205	1
Brugia malayi	Probable ClpP-like protease	0.0085	0.4205	0.4205
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0.0647	1
Echinococcus multilocularis	dna polymerase kappa	0.0019	0.0647	0.0717
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0575	0.0637
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0296	0.0296
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0647	0.0647
Loa Loa (eye worm)	hypothetical protein	0.0192	1	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4205	0.5
Brugia malayi	regulator of G-protein signaling egl-10	0.0009	0.0146	0.0146
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0296	0.0328
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0296	0.0328
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0085	0.4205	1
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0296	0.0296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0296	0.0328
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0009	0.0146	0.0162
Leishmania major	DNA polymerase eta, putative	0.0019	0.0647	0.5
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4205	0.5
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0055	0.2631	0.2915
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0019	0.0647	0.0717
Brugia malayi	ImpB/MucB/SamB family protein	0.0019	0.0647	0.0647
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.3273	0.3626
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.3273	0.3273
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0296	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0038	0.1664	0.1664
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0296	0.0328
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0296	0.0328
Giardia lamblia	DINP protein human, muc B family	0.0019	0.0647	0.5
Brugia malayi	DIX domain containing protein	0.0009	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0296	0.0296
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0296	0.0328
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0296	0.0328
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0296	0.0296
Echinococcus granulosus	dna polymerase eta	0.0019	0.0647	0.0717
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0019	0.0647	0.0647
Leishmania major	DNA polymerase kappa, putative	0.0019	0.0647	0.5
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0296	0.0328
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0296	0.0296
Brugia malayi	steroid hormone receptor	0.0012	0.0296	0.0296
Schistosoma mansoni	hypothetical protein	0.0017	0.0575	0.0637
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0146	0.0162
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.3273	0.3626
Schistosoma mansoni	dep domain containing protein	0.0009	0.0146	0.0162
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.3273	0.3626
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0009	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0296	0.0296
Onchocerca volvulus		0.0012	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0296	0.0296
Toxoplasma gondii	hypothetical protein	0.0029	0.1211	0.2622
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0296	0.0296
Schistosoma mansoni	regulator of G protein signaling	0.0009	0.0146	0.0162
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0296	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0296	0.0296
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0085	0.4205	0.4659
Loa Loa (eye worm)	hypothetical protein	0.0055	0.2603	0.2603
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0009	0.0146	0.0162
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0296	0.0328
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0192	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0296	0.0328
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.4205	1
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0146	0.0146
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0296	0.0296
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0296	0.0328
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0296	0.0328
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.3273	0.3273
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0055	0.2631	0.4744
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0146	0.0162
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0296	0.0328
Schistosoma mansoni	hypothetical protein	0.0017	0.0575	0.0637
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0296	0.0296
Echinococcus granulosus	GPCR family 2	0.0017	0.0575	0.0637
Echinococcus granulosus	tar DNA binding protein	0.0067	0.3273	0.3626
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0296	0.0296
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0296	0.0296
Echinococcus granulosus	regulator of G protein signaling 7	0.0009	0.0146	0.0162
Echinococcus granulosus	segment polarity protein dishevelled	0.0009	0.0146	0.0162
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0296	0.0296
Brugia malayi	ecdysteroid receptor	0.0012	0.0296	0.0296
Trypanosoma cruzi	DNA polymerase eta, putative	0.0019	0.0647	1
Loa Loa (eye worm)	DIX domain-containing protein	0.0009	0.0146	0.0146
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.3273	0.3626
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4205	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.3273	0.3626
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0296	0.0296
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0146	0.0146
Brugia malayi	TAR-binding protein	0.0067	0.3273	0.3273
Trypanosoma brucei	DNA polymerase eta, putative	0.0019	0.0647	1
Schistosoma mansoni	hypothetical protein	0.0174	0.9026	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0019	0.0647	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0009	0.0146	0.0162
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0296	0.0328
Echinococcus multilocularis	dna polymerase eta	0.0019	0.0647	0.0717
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0647	1
Brugia malayi	hypothetical protein	0.0009	0.0146	0.0146
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4205	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0296	0.0296
Brugia malayi	hypothetical protein	0.0009	0.0146	0.0146
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0296	0.0328
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0009	0.0146	0.0162
Schistosoma mansoni	peptidase Clp (S14 family)	0.0085	0.4205	0.4659
Onchocerca volvulus		0.0009	0.0146	0.0146
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0296	0.0328
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0009	0.0146	0.0146
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0055	0.2631	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0296	0.0296
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0647	1
Echinococcus multilocularis	segment polarity protein dishevelled	0.0009	0.0146	0.0162
Schistosoma mansoni	coup transcription factor	0.0012	0.0296	0.0328
Trypanosoma brucei	DNA polymerase IV, putative	0.0019	0.0647	1
Echinococcus multilocularis	geminin	0.0174	0.9026	1
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0296	0.0328
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0296	0.0328
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0575	0.0637
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0296	0.0296
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0019	0.0647	1
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0019	0.0647	0.5
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0085	0.4205	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.2603	0.2603
Schistosoma mansoni	hypothetical protein	0.0174	0.9026	1
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0085	0.4205	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.3273	0.3273
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0296	0.0296
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0296	0.0328
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.2603	0.2603
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0146	0.0146
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0296	0.0296
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.3273	0.3626
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0296	0.0328
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0296	0.0296
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0296	0.0296
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0296	0.0296
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0019	0.0647	0.0717
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0296	0.0296
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1
Echinococcus granulosus	dna polymerase kappa	0.0019	0.0647	0.0717
Trypanosoma brucei	DNA polymerase kappa, putative	0.0019	0.0647	1

Activities

No activities found for this compound.

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: CHEMBL2218892

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 1697865