TDR Targets

Basic information

Technical information

TDR Targets ID: 1316198
Name: 2,6-dichloro-N-(5-methyl-1,2-oxazol-3-yl)benz amide
MW: 271.099 | Formula: C11H8Cl2N2O2
H donors: 1 H acceptors: 2 LogP: 3.19 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Cc1onc(c1)NC(=O)c1c(Cl)cccc1Cl
InChi: 1S/C11H8Cl2N2O2/c1-6-5-9(15-17-6)14-11(16)10-7(12)3-2-4-8(10)13/h2-5H,1H3,(H,14,15,16)
InChiKey: ITLUYCSHGCBQTH-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

2,6-dichloro-N-(5-methylisoxazol-3-yl)benzamide
2,6-dichloro-N-(5-methyl-3-isoxazolyl)benzamide
ST5302695
2,6-Dichloro-N-(5-methyl-isoxazol-3-yl)-benzamide
BAS 03033407
MLS000764628
SMR000290233
ZINC02752764

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glucosidase, beta, acid	Starlite/ChEMBL	No references
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Onchocerca volvulus	Glucosylceramidase homolog	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Brugia malayi	O-Glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423
Trichomonas vaginalis	glucosylceramidase, putative	Get druggable targets OG5_129423	All targets in OG5_129423

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
Toxoplasma gondii	aldo-keto reductase	0.0417	0.2648	0.2648
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Schistosoma mansoni	aldo-keto reductase	0.144	1	1
Schistosoma mansoni	potassium channel beta	0.0417	0.2648	0.2648
Trichomonas vaginalis	conserved hypothetical protein	0.0417	0.2648	0.172
Mycobacterium tuberculosis	Probable oxidoreductase	0.144	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.144	1	1
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.144	1	1
Leishmania major	aldo-keto reductase-like protein	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.0417	0.2648	0.172
Leishmania major	aldo/keto reductase, putative,aldo/keto reductase family-like protein	0.0417	0.2648	0.2648
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Leishmania major	prostaglandin f synthase, putative	0.144	1	1
Brugia malayi	glutamate-cysteine ligase modifier subunit	0.0417	0.2648	0.2648
Echinococcus multilocularis	aldo keto reductase	0.144	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.144	1	1
Onchocerca volvulus		0.0417	0.2648	0.2648
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1892	0.0868
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Onchocerca volvulus		0.144	1	1
Loa Loa (eye worm)	oxidoreductase	0.144	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Echinococcus granulosus	aldo keto reductase family 1, member B4	0.0417	0.2648	0.2648
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.144	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.144	1	1
Echinococcus multilocularis	aldehyde reductase	0.1023	0.7002	0.7002
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.144	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.144	1	1
Schistosoma mansoni	aldo-keto reductase	0.144	1	1
Mycobacterium ulcerans	oxidoreductase	0.144	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.144	1	1
Plasmodium falciparum	aldehyde reductase, putative	0.0417	0.2648	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1892	0.0868
Loa Loa (eye worm)	oxidoreductase	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.0417	0.2648	0.2648
Trichomonas vaginalis	aldo-keto reductase, putative	0.0417	0.2648	0.172
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1892	0.0868
Loa Loa (eye worm)	oxidoreductase	0.144	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.144	1	1
Trichomonas vaginalis	alcohol dehydrogenase, putative	0.0417	0.2648	0.172
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1892	0.0868
Brugia malayi	NADH-dependent xylose reductase	0.0417	0.2648	0.2648
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Echinococcus granulosus	voltage gated potassium channel subunit	0.0417	0.2648	0.2648
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Loa Loa (eye worm)	glutamate-cysteine ligase modifier subunit	0.0417	0.2648	0.0933
Giardia lamblia	Aldose reductase	0.144	1	0.5
Echinococcus multilocularis	voltage gated potassium channel subunit	0.0417	0.2648	0.2648
Onchocerca volvulus		0.144	1	1
Giardia lamblia	Aldose reductase	0.144	1	0.5
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0312	0.1892	0.1892
Trypanosoma brucei	aldo-keto reductase, putative	0.144	1	1
Onchocerca volvulus		0.144	1	1
Echinococcus granulosus	hypothetical protein	0.144	1	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.144	1	1
Toxoplasma gondii	oxidoreductase, aldo/keto reductase family protein	0.0417	0.2648	0.2648
Loa Loa (eye worm)	hypothetical protein	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Echinococcus granulosus	aldehyde reductase	0.1023	0.7002	0.7002
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.144	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.144	1	1
Echinococcus multilocularis	aldo keto reductase	0.144	1	1
Plasmodium vivax	aldehyde reductase, putative	0.0417	0.2648	0.5
Onchocerca volvulus	Glucosylceramidase homolog	0.0205	0.1121	0.1121
Toxoplasma gondii	aldose reductase, putative	0.144	1	1
Onchocerca volvulus		0.144	1	1
Mycobacterium leprae	Conserved hypothetical protein	0.1023	0.7002	0.5922
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.144	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.12	0.0089
Trichomonas vaginalis	aldo-keto reductase, putative	0.0417	0.2648	0.172
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Toxoplasma gondii	aldo/keto reductase family oxidoreductase	0.0417	0.2648	0.2648
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.144	1	1
Schistosoma mansoni	pol-related	0.144	1	1
Loa Loa (eye worm)	oxidoreductase	0.144	1	1
Entamoeba histolytica	aldose reductase, putative	0.144	1	1
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.144	1	1
Entamoeba histolytica	aldose reductase, putative	0.144	1	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Trichomonas vaginalis	aldo/keto reductase, putative	0.144	1	1
Onchocerca volvulus		0.144	1	1
Plasmodium vivax	oxidoreductase, aldo/keto reductase domain containing protein	0.0417	0.2648	0.5
Plasmodium falciparum	aldo-keto reductase, putative	0.0417	0.2648	0.5
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.144	1	1
Loa Loa (eye worm)	oxidoreductase	0.144	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1892	0.0868
Trypanosoma brucei	prostaglandin f synthase	0.144	1	1
Entamoeba histolytica	aldose reductase, putative	0.144	1	1
Echinococcus multilocularis	aldo keto reductase	0.144	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.144	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.144	1	1
Trypanosoma cruzi	aldo-keto reductase	0.144	1	1
Echinococcus multilocularis	aldo keto reductase	0.144	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0312	0.1892	0.0868
Echinococcus granulosus	aldo keto reductase	0.144	1	1
Echinococcus granulosus	aldo keto reductase	0.144	1	1
Onchocerca volvulus		0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0216	0.12	0.0089
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.144	1	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.144	1	1
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1
Trypanosoma cruzi	aldo/keto reductase, putative	0.144	1	1
Echinococcus granulosus	aldo keto reductase	0.144	1	1
Trichomonas vaginalis	aldo-keto reductase, putative	0.144	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 112.219 um	PUBCHEM_BIOASSAY: Luminescence Biochemical Dose Response HTS to Identify Inhibitors of Luciferase. (Class of assay: confirmatory) [Related pubchem assays: 1663 (Primary HTS), 1678 (Summary of Project)]	ChEMBL.	No reference
Potency (functional)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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: CHEMBL1471946

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 1316198