TDR Targets

Basic information

Technical information

TDR Targets ID: 1856870
Name: 2-[(4-acetamidophenyl)methylideneamino]oxy-N- (4-methylphenyl)acetamide
MW: 325.362 | Formula: C18H19N3O3
H donors: 2 H acceptors: 2 LogP: 2.41 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1ccc(cc1)C)CO/N=C/c1ccc(cc1)NC(=O)C
InChi: 1S/C18H19N3O3/c1-13-3-7-17(8-4-13)21-18(23)12-24-19-11-15-5-9-16(10-6-15)20-14(2)22/h3-11H,12H2,1-2H3,(H,20,22)(H,21,23)/b19-11+
InChiKey: LYBIBLCPCNBJQQ-YBFXNURJSA-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-acetamidophenyl)methyleneamino]oxy-N-(4-methylphenyl)acetamide
2-[(4-acetamidobenzylidene)amino]oxy-N-(4-methylphenyl)acetamide
2-[(4-acetamidophenyl)methylideneamino]oxy-N-(4-methylphenyl)ethanamide
MLS000409040
SMR000264099
T5224895

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	survival of motor neuron 2, centromeric	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Homo sapiens	Niemann-Pick disease, type C1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Schistosoma japonicum	ko:K07003 Niemann Pick type C1, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132873	All targets in OG5_132873
Echinococcus multilocularis	survival motor neuron protein 1	Get druggable targets OG5_132873	All targets in OG5_132873
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma mansoni	niemann-pick C1 (NPC1)	Get druggable targets OG5_128206	All targets in OG5_128206
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus multilocularis	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	Niemann Pick C1 protein	Get druggable targets OG5_128206	All targets in OG5_128206
Schistosoma japonicum	Niemann-Pick C1 protein precursor, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Echinococcus granulosus	expressed conserved protein	Get druggable targets OG5_128206	All targets in OG5_128206
Candida albicans	potential membrane protein similar to S. cerevisiae NCR1 (YPL006W) and human NPC1 late endosomal protein involved in sterol home	Get druggable targets OG5_128206	All targets in OG5_128206
Entamoeba histolytica	Niemann-Pick C1 protein, putative	Get druggable targets OG5_128206	All targets in OG5_128206
Brugia malayi	Niemann-Pick C1 protein precursor	Get druggable targets OG5_128206	All targets in OG5_128206

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0272	0.0836
Echinococcus multilocularis	protein patched	0.0051	0.0365	0.0295
Schistosoma mansoni	hypothetical protein	0.0205	0.2257	0.22
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0051	0.0365	0.1122
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0272	0.0836
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.0121	0.1223	0.116
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0272	0.0861
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.3158	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0272	0.0836
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0029	0.0089	0.3277
Schistosoma mansoni	patched 1	0.0051	0.0365	0.0295
Echinococcus granulosus	Protein patched homolog 1	0.0051	0.0365	0.0295
Plasmodium falciparum	acyl-CoA synthetase	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0506	0.1556
Leishmania major	hypothetical protein, conserved	0.0043	0.0272	1
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0029	0.0089	0.0282
Trichomonas vaginalis	conserved hypothetical protein	0.0051	0.0365	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0272	0.0201
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0272	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0272	0.0628
Brugia malayi	hypothetical protein	0.0182	0.1984	0.6009
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0417	0.0347
Echinococcus granulosus	geminin	0.0205	0.2257	0.22
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0272	0.0201
Onchocerca volvulus		0.0029	0.0089	0.0089
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0272	0.0861
Brugia malayi	Protein kinase domain containing protein	0.0236	0.264	0.8072
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0119	0.1201	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0272	0.0861
Schistosoma mansoni	survival motor neuron protein	0.0058	0.0454	0.0385
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0272	0.0861
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0417	0.1083
Echinococcus multilocularis	protein dispatched 1	0.0058	0.0454	0.0384
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0272	0.0861
Echinococcus granulosus	survival motor neuron protein 1	0.0286	0.3254	0.3204
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0272	1
Brugia malayi	hypothetical protein	0.0286	0.3254	1
Onchocerca volvulus		0.0058	0.0454	0.1997
Echinococcus granulosus	Niemann Pick C1 protein	0.017	0.1829	0.177
Brugia malayi	beta-lactamase	0.0043	0.0272	0.0628
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0417	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0272	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0089	0.0274
Onchocerca volvulus		0.0043	0.0272	0.1045
Schistosoma mansoni	hypothetical protein	0.0049	0.0342	0.0272
Echinococcus granulosus	expressed conserved protein	0.0112	0.1112	0.1047
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0272	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0089	0.3277
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0272	1
Echinococcus multilocularis	sterol regulatory element binding protein	0.0051	0.0365	0.0295
Echinococcus multilocularis	tyrosine protein kinase	0.0236	0.264	0.2587
Echinococcus multilocularis	microtubule associated protein 2	0.0833	1	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0272	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0286	0.3254	1
Schistosoma mansoni	hypothetical protein	0.0205	0.2257	0.22
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0089	0.0053
Brugia malayi	Niemann-Pick C1 protein precursor	0.0119	0.1201	0.3548
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0089	0.0053
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0365	0.1122
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0089	0.3277
Echinococcus multilocularis	geminin	0.0205	0.2257	0.22
Brugia malayi	beta-lactamase family protein	0.0043	0.0272	0.0628
Loa Loa (eye worm)	TK protein kinase	0.0236	0.264	0.8115
Loa Loa (eye worm)	hypothetical protein	0.0231	0.2577	0.7921
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0272	0.0861
Echinococcus multilocularis	Niemann Pick C1 protein	0.0119	0.1201	0.1137
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0272	0.0836
Echinococcus multilocularis	expressed conserved protein	0.0112	0.1112	0.1047
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0029	0.0089	0.3277
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0272	0.0201
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0272	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0072	0.0222
Schistosoma mansoni	hypothetical protein	0.0049	0.0342	0.0272
Schistosoma mansoni	hypothetical protein	0.0058	0.0454	0.0385
Onchocerca volvulus		0.0032	0.0129	0.0299
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0272	0.5
Brugia malayi	beta-lactamase family protein	0.0043	0.0272	0.0628
Brugia malayi	Protein kinase domain containing protein	0.0233	0.2602	0.7953
Toxoplasma gondii	ABC1 family protein	0.0043	0.0272	0.5
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0072	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0119	0.1201	0.3691
Mycobacterium ulcerans	acyl-CoA synthetase	0.0029	0.0089	0.3277
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0272	1
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0089	0.0274
Mycobacterium ulcerans	hypothetical protein	0.0029	0.0089	0.3277
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0272	0.0836
Onchocerca volvulus		0.0043	0.0272	0.1045
Echinococcus granulosus	sterol regulatory element binding protein	0.0051	0.0365	0.0295
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0272	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0417	0.0347
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0417	0.1281
Echinococcus multilocularis	Niemann Pick C1 protein	0.017	0.1829	0.177
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0272	1
Echinococcus granulosus	tyrosine protein kinase	0.0236	0.264	0.2587
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0029	0.0089	0.0282
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0417	0.0347
Loa Loa (eye worm)	hypothetical protein	0.02	0.2203	0.6771
Brugia malayi	AMP-binding enzyme family protein	0.0029	0.0089	0.0053
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0029	0.0089	0.3277
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0272	0.0861
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0417	0.0347
Mycobacterium ulcerans	lipase LipD	0.0043	0.0272	1
Brugia malayi	CHE-14 protein	0.0051	0.0365	0.092
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0272	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0417	0.0347
Onchocerca volvulus		0.0182	0.1984	1
Echinococcus granulosus	Niemann Pick C1 protein	0.0119	0.1201	0.1137
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0272	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0182	0.1984	0.6098
Schistosoma mansoni	hypothetical protein	0.0049	0.0342	0.0272
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0021	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0089	0.0274
Schistosoma mansoni	microtubule-associated protein tau	0.0833	1	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0058	0.0454	0.12
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0029	0.0089	0.3277
Echinococcus multilocularis	survival motor neuron protein 1	0.0286	0.3254	0.3204
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0272	0.5
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0272	0.0861
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0272	0.0836
Schistosoma mansoni	hypothetical protein	0.0049	0.0342	0.0272
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0272	0.0836
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0417	0.0347
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0072	0.0222
Loa Loa (eye worm)	TK/ALK protein kinase	0.0233	0.2601	0.7996
Onchocerca volvulus		0.0043	0.0272	0.1045

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 3.5481 um	PUBCHEM_BIOASSAY: qHTS Assay for NPC1 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Assay for Enhancers of SMN2 Splice Variant Expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	12.5893 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	13.1154 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	23.1093 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that induce genotoxicity in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493106, AID493143]	ChEMBL.	No reference
Potency (functional)	23.9341 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

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: CHEMBL3194602

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 1856870