TDR Targets

Basic information

Technical information

TDR Targets ID: 1450520
Name: 2-(4-fluorophenyl)-N-methyl-4-phenylsulfonyl- 1,3-oxazol-5-amine
MW: 332.349 | Formula: C16H13FN2O3S
H donors: 1 H acceptors: 3 LogP: 4.1 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: CNc1oc(nc1S(=O)(=O)c1ccccc1)c1ccc(cc1)F
InChi: 1S/C16H13FN2O3S/c1-18-15-16(23(20,21)13-5-3-2-4-6-13)19-14(22-15)11-7-9-12(17)10-8-11/h2-10,18H,1H3
InChiKey: LQZCKTVUOMNIFM-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-(4-fluorophenyl)-N-methyl-4-phenylsulfonyl-oxazol-5-amine
2-(4-fluorophenyl)-N-methyl-4-phenylsulfonyl-5-oxazolamine
[2-(4-fluorophenyl)-4-phenylsulfonyl-oxazol-5-yl]-methyl-amine
ZINC00177315
Oprea1_110679

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ataxin 2	Starlite/ChEMBL	No references

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
Brugia malayi	RNA binding protein	0.0189	0.3176	0.3176
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0146	0.0146
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0126	0.1992	0.6271
Schistosoma mansoni	dep domain containing protein	0.0027	0.0146	0.031
Schistosoma mansoni	regulator of G protein signaling	0.0027	0.0146	0.031
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0258	0.0545
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0027	0.0146	0.0146
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.057	1
Brugia malayi	regulator of G-protein signaling egl-10	0.0027	0.0146	0.0146
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3176	0.6722
Echinococcus multilocularis	Smad4	0.0033	0.0258	0.0811
Loa Loa (eye worm)	hypothetical protein	0.0553	1	1
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3176	0.6722
Loa Loa (eye worm)	Smad1	0.0033	0.0258	0.0258
Brugia malayi	Smad1	0.0033	0.0258	0.0258
Leishmania major	hypothetical protein, conserved	0.005	0.057	0.5
Brugia malayi	DIX domain containing protein	0.0027	0.0146	0.0146
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0397	0.7081	0.7081
Echinococcus granulosus	regulator of G protein signaling 7	0.0027	0.0146	0.0461
Echinococcus multilocularis	Pleckstrin G protein, interacting region	0.0027	0.0146	0.0461
Brugia malayi	TAR-binding protein	0.0189	0.3176	0.3176
Brugia malayi	MH1 domain containing protein	0.0033	0.0258	0.0258
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0189	0.3176	0.3176
Brugia malayi	latrophilin 2 splice variant baaae	0.0271	0.4726	0.4726
Schistosoma mansoni	hypothetical protein	0.0126	0.1992	0.4215
Loa Loa (eye worm)	hypothetical protein	0.0397	0.7081	0.7081
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0146	0.0146
Loa Loa (eye worm)	RNA binding protein	0.0189	0.3176	0.3176
Entamoeba histolytica	hypothetical protein	0.0019	0	0.5
Loa Loa (eye worm)	MH1 domain-containing protein	0.0033	0.0258	0.0258
Echinococcus granulosus	TGF beta signal transducer SmadC	0.0033	0.0258	0.0811
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0022	0.0055	0.0174
Schistosoma mansoni	dishevelled	0.0027	0.0146	0.031
Echinococcus multilocularis	smad	0.0033	0.0258	0.0811
Brugia malayi	Latrophilin receptor protein 2	0.0126	0.1992	0.1992
Loa Loa (eye worm)	transcription factor SMAD2	0.0486	0.8753	0.8753
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0397	0.7081	0.7081
Echinococcus multilocularis	regulator of G protein signaling 7	0.0027	0.0146	0.0461
Brugia malayi	MH1 domain containing protein	0.0033	0.0258	0.0258
Brugia malayi	MH2 domain containing protein	0.0033	0.0258	0.0258
Trichomonas vaginalis	ras GTP exchange factor, son of sevenless, putative	0.0019	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.057	0.057
Onchocerca volvulus	Segment polarity protein dishevelled homolog	0.0027	0.0146	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3176	0.6722
Echinococcus granulosus	tar DNA binding protein	0.0189	0.3176	1
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3176	0.6722
Onchocerca volvulus		0.0027	0.0146	0.0146
Echinococcus multilocularis	segment polarity protein dishevelled	0.0027	0.0146	0.0461
Schistosoma mansoni	smad	0.0033	0.0258	0.0545
Loa Loa (eye worm)	MH2 domain-containing protein	0.0033	0.0258	0.0258
Schistosoma mansoni	Smad4	0.0033	0.0258	0.0545
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0126	0.1992	0.6271
Trypanosoma brucei	PAB1-binding protein , putative	0.005	0.057	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Trypanosoma cruzi	PAB1-binding protein , putative	0.005	0.057	1
Loa Loa (eye worm)	hypothetical protein	0.0271	0.4726	0.4726
Echinococcus granulosus	GPCR family 2	0.0126	0.1992	0.6271
Brugia malayi	RNA recognition motif domain containing protein	0.0189	0.3176	0.3176
Loa Loa (eye worm)	MH2 domain-containing protein	0.0486	0.8753	0.8753
Schistosoma mansoni	hypothetical protein	0.0126	0.1992	0.4215
Loa Loa (eye worm)	TAR-binding protein	0.0189	0.3176	0.3176
Echinococcus multilocularis	regulator of G protein signaling 7	0.0027	0.0146	0.0461
Schistosoma mansoni	hypothetical protein	0.0126	0.1992	0.4215
Brugia malayi	hypothetical protein	0.0032	0.0239	0.0239
Echinococcus multilocularis	mothers against decapentaplegic 5	0.0033	0.0258	0.0811
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0258	0.0545
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0126	0.1992	0.6271
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0397	0.7081	0.7081
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Schistosoma mansoni	z-protein (S1r protein)	0.0027	0.0146	0.031
Echinococcus granulosus	mothers against decapentaplegic 5	0.0033	0.0258	0.0811
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Echinococcus granulosus	segment polarity protein dishevelled	0.0027	0.0146	0.0461
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0126	0.1992	0.1992
Brugia malayi	MH2 domain containing protein	0.0486	0.8753	0.8753
Toxoplasma gondii	LsmAD domain-containing protein	0.005	0.057	1
Schistosoma mansoni	hypothetical protein	0.0271	0.4726	1
Echinococcus granulosus	segment polarity protein dishevelled	0.0027	0.0146	0.0461
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.0033	0.0258	0.0811
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.057	0.5
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.0033	0.0258	0.0545
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0027	0.0146	0.0146
Loa Loa (eye worm)	DIX domain-containing protein	0.0027	0.0146	0.0146
Echinococcus granulosus	Pleckstrin G protein interacting region	0.0027	0.0146	0.0461
Schistosoma mansoni	smad1 5 8 and	0.0033	0.0258	0.0545
Echinococcus multilocularis	GPCR, family 2	0.0126	0.1992	0.6271
Brugia malayi	hypothetical protein	0.005	0.057	0.057
Schistosoma mansoni	fyve finger-containing phosphoinositide kinase fyv1	0.0027	0.0146	0.031
Brugia malayi	Domain found in Dishevelled, Egl-10, and Pleckstrin family protein	0.0027	0.0146	0.0146
Schistosoma mansoni	hypothetical protein	0.0022	0.0055	0.0117
Brugia malayi	hypothetical protein	0.0027	0.0146	0.0146
Onchocerca volvulus	Rap guanine nucleotide exchange factor 1 homolog	0.0553	1	1
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Echinococcus granulosus	Smad4	0.0033	0.0258	0.0811
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0126	0.1992	0.1992
Echinococcus multilocularis	tar DNA binding protein	0.0189	0.3176	1
Echinococcus granulosus	smad	0.0033	0.0258	0.0811
Echinococcus multilocularis	segment polarity protein dishevelled	0.0027	0.0146	0.0461
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.005	0.057	0.5
Trichomonas vaginalis	guanine nucleotide exchange factor, putative	0.0019	0	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.005	0.057	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0126	0.1992	0.6271
Brugia malayi	hypothetical protein	0.0027	0.0146	0.0146
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Echinococcus granulosus	regulator of G protein signaling 7	0.0027	0.0146	0.0461
Brugia malayi	MH2 domain containing protein	0.0033	0.0258	0.0258
Schistosoma mansoni	hypothetical protein	0.0126	0.1992	0.4215
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0022	0.0055	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0126	0.1992	0.1992
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0019	0	0.5
Trichomonas vaginalis	ras GTP exchange factor, putative	0.0019	0	0.5
Entamoeba histolytica	Ras guanine nucleotide exchange factor, putative	0.0019	0	0.5
Schistosoma mansoni	dishevelled	0.0027	0.0146	0.031
Schistosoma mansoni	tar DNA-binding protein	0.0189	0.3176	0.6722
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0146	0.0146

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.2387 uM	PubChem BioAssay. qHTS for Inhibitors of ATXN expression. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.8584 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)	14.7157 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)	= 35.4813 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	35.4813 uM	PubChem BioAssay. qHTS Assay for Inhibitors of MBNL1-poly(CUG) RNA binding. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	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

Species name	Source	Reference	Is orphan
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: CHEMBL1586714

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 1450520