TDR Targets

Basic information

Technical information

TDR Targets ID: 958070
Name: N-hydroxy-3-methoxybenzamide
MW: 167.162 | Formula: C8H9NO3
H donors: 2 H acceptors: 2 LogP: 0.68 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: ONC(=O)c1cccc(c1)OC
InChi: 1S/C8H9NO3/c1-12-7-4-2-3-6(5-7)8(10)9-11/h2-5,11H,1H3,(H,9,10)
InChiKey: DVUJVMMFEBNGPA-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

3-methoxybenzenecarbohydroxamic acid
N-hydroxy-3-methoxy-benzamide

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
Loa Loa (eye worm)	ctsf protein	0.0019	0.1472	1
Echinococcus multilocularis	cysteine protease	0.0019	0.1472	0.2968
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.1472	0.2968
Onchocerca volvulus		0.0019	0.1472	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0019	0.1472	0.1472
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0019	0.1472	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.1472	1
Entamoeba histolytica	cysteine protease, putative	0.0019	0.1472	0.2968
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0013	0.0468	0.0944
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.4958	1
Loa Loa (eye worm)	fibroinase	0.0019	0.1472	1
Brugia malayi	cathepsin L-like precursor	0.0013	0.0468	0.0944
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.1472	0.2968
Plasmodium vivax	vivapain-2	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.1472	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.1472	0.2968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Trypanosoma cruzi	major cysteine proteinase, putative	0.0056	0.7525	0.7525
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.1472	1
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0019	0.1472	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.1472	0.2968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0468	0.3182
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.1472	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Toxoplasma gondii	cathepsin CPL	0.0019	0.1472	0.5
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.1472	0.2968
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.1472	1
Onchocerca volvulus		0.0019	0.1472	1
Entamoeba histolytica	hypothetical protein	0.004	0.4958	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0013	0.0468	0.3182
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0468	0.0944
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.1472	0.2968
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Entamoeba histolytica	cysteine proteinase, putative	0.0013	0.0468	0.0944
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0019	0.1472	1
Entamoeba histolytica	cysteine proteinase, putative	0.0019	0.1472	0.2968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Leishmania major	cathepsin L-like protease	0.0072	1	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0019	0.1472	0.2968
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.1472	1
Onchocerca volvulus	Cathepsin F homolog	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Onchocerca volvulus	Cathepsin L homolog	0.0019	0.1472	1
Onchocerca volvulus		0.0019	0.1472	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0019	0.1472	0.2968
Trypanosoma cruzi	cruzipain precursor, putative	0.0072	1	1
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.4958	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0013	0.0468	0.0944
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0019	0.1472	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Brugia malayi	hypothetical protein	0.004	0.4958	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Entamoeba histolytica	hypothetical protein	0.004	0.4958	1
Onchocerca volvulus		0.0019	0.1472	1
Entamoeba histolytica	hypothetical protein	0.004	0.4958	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0019	0.1472	0.2968
Plasmodium vivax	vivapain-2	0.0019	0.1472	1
Brugia malayi	Cathepsin L-like precursor	0.0019	0.1472	0.2968
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0019	0.1472	1
Echinococcus multilocularis	cysteine protease	0.0019	0.1472	0.2968
Echinococcus granulosus	cathepsin l1	0.0019	0.1472	0.2968
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Brugia malayi	Cathepsin L-like precursor	0.0013	0.0468	0.0944
Onchocerca volvulus		0.0019	0.1472	1
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	1	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Schistosoma mansoni	hypothetical protein	0.004	0.4958	1
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0019	0.1472	0.2968
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.1472	1
Echinococcus granulosus	cathepsin l1	0.0013	0.0468	0.0944
Onchocerca volvulus		0.0019	0.1472	1
Loa Loa (eye worm)	cysteine protease	0.0019	0.1472	1
Onchocerca volvulus		0.0019	0.1472	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.1472	0.2968
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0019	0.1472	0.2968
Brugia malayi	Cathepsin L-like precursor	0.0019	0.1472	0.2968
Brugia malayi	Cathepsin L-like precursor	0.0019	0.1472	0.2968
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.4958	1
Brugia malayi	Papain family cysteine protease containing protein	0.0019	0.1472	0.2968
Entamoeba histolytica	hypothetical protein	0.004	0.4958	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0065	0.8997	0.8997
Leishmania major	cathepsin L-like protease	0.0072	1	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0019	0.1472	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0072	1	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0019	0.1472	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (binding)		Inhibition of FtsZ-mediated cell division in Bacillus subtilis 168 assessed as effect on cell morphology	ChEMBL.	19064318
CC50 (ADMET)	= 570 uM	Cytotoxicity against human HuH7 cells expressing luc/neo after 72 hrs by MTT assay	ChEMBL.	24035094

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: CHEMBL454556

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 958070