TDR Targets

Basic information

Technical information

TDR Targets ID: 871987
Name: N-(2-chloropyridin-3-yl)-5-(4-methoxyphenyl)- 1,2-oxazole-3-carboxamide
MW: 329.738 | Formula: C16H12ClN3O3
H donors: 1 H acceptors: 3 LogP: 3.06 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)c1onc(c1)C(=O)Nc1cccnc1Cl
InChi: 1S/C16H12ClN3O3/c1-22-11-6-4-10(5-7-11)14-9-13(20-23-14)16(21)19-12-3-2-8-18-15(12)17/h2-9H,1H3,(H,19,21)
InChiKey: JUVYNNGRXWZMPP-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

N-(2-chloro-3-pyridyl)-5-(4-methoxyphenyl)isoxazole-3-carboxamide
N-(2-chloro-3-pyridyl)-5-(4-methoxyphenyl)-3-isoxazolecarboxamide
EU-0057119

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	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

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %
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	0.0078	0.0022	0.0022
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0104	0.0045	0.5
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0071	0.0015	0.0045
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0022	0.0022
Echinococcus multilocularis	geminin	0.0205	0.0135	0.0388
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.021	0.0139	0.5
Trypanosoma brucei	Aminopeptidase M1, putative	0.021	0.0139	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0076	0.002	0.002
Echinococcus granulosus	roundabout 2	0.0071	0.0015	0.0045
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.021	0.0139	0.5
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.021	0.0139	0.5
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.021	0.0139	0.5
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.3948	0.3469	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0022	0.0022
Onchocerca volvulus		0.021	0.0139	0.5
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.021	0.0139	0.5
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0021	0.0021
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.021	0.0139	0.0402
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.021	0.0139	0.5
Toxoplasma gondii	aminopeptidase N, putative	0.021	0.0139	1
Schistosoma mansoni	hypothetical protein	0.0205	0.0135	0.0388
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.021	0.0139	0.5
Onchocerca volvulus		0.021	0.0139	0.5
Schistosoma mansoni	cell adhesion molecule	0.0071	0.0015	0.0045
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0015	0.0015
Schistosoma mansoni	aminopeptidase A (M01 family)	0.021	0.0139	0.0402
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0104	0.0045	0.0129
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.021	0.0139	0.5
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0022	0.0022
Toxoplasma gondii	aminopeptidase n, putative	0.021	0.0139	1
Brugia malayi	Peptidase family M1 containing protein	0.021	0.0139	0.0139
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0104	0.0045	0.0045
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0077	0.0021	0.0021
Loa Loa (eye worm)	hypothetical protein	0.021	0.0139	0.0139
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	1.128	1	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0022	0.0022
Echinococcus multilocularis	roundabout 2	0.0071	0.0015	0.0045
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.021	0.0139	0.5
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.021	0.0139	0.0402
Loa Loa (eye worm)	peptidase family M1 containing protein	0.021	0.0139	0.0139
Brugia malayi	hypothetical protein	0.021	0.0139	0.0139
Loa Loa (eye worm)	aminopeptidase N	0.021	0.0139	0.0139
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Trypanosoma cruzi	Aminopeptidase M1, putative	0.021	0.0139	0.5
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0045	0.0045
Brugia malayi	hypothetical protein	0.1815	0.1569	0.1569
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.021	0.0139	0.5
Echinococcus granulosus	aminopeptidase N	0.021	0.0139	0.0402
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.3948	0.3469	0.3469
Trypanosoma brucei	aminopeptidase, putative	0.021	0.0139	0.5
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0022	0.0022
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.1905	0.1649	0.4753
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0021	0.0021
Schistosoma mansoni	hypothetical protein	0.0205	0.0135	0.0388
Trypanosoma cruzi	aminopeptidase, putative	0.021	0.0139	0.5
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.021	0.0139	0.5
Trypanosoma cruzi	aminopeptidase, putative	0.021	0.0139	0.5
Toxoplasma gondii	aminopeptidase N protein	0.021	0.0139	1
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0077	0.0021	0.0021
Brugia malayi	TATA binding protein associated factor	0.021	0.0139	0.0139
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0076	0.002	0.002
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0015	0.0015
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0021	0.0021
Mycobacterium ulcerans	aminopeptidase N PepN	0.021	0.0139	1
Mycobacterium leprae	probable zinc metalloprotease	0.0104	0.0045	0.5
Entamoeba histolytica	aminopeptidase, putative	0.021	0.0139	0.5
Brugia malayi	Peptidase family M1 containing protein	0.021	0.0139	0.0139
Mycobacterium ulcerans	aminopeptidase N PepN	0.021	0.0139	1
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.3948	0.3469	1
Loa Loa (eye worm)	hypothetical protein	0.021	0.0139	0.0139
Echinococcus granulosus	endothelin converting enzyme 1	0.0104	0.0045	0.0129
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Onchocerca volvulus		0.021	0.0139	0.5
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.021	0.0139	0.5
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.021	0.0139	0.0402
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0045	0.0045
Echinococcus multilocularis	endothelin converting enzyme 1	0.0104	0.0045	0.0129
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.021	0.0139	0.5
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.021	0.0139	0.5
Echinococcus multilocularis	aminopeptidase N	0.021	0.0139	0.0402
Brugia malayi	Peptidase family M13 containing protein	0.0104	0.0045	0.0045
Loa Loa (eye worm)	TATA binding protein associated factor	0.021	0.0139	0.0139
Trypanosoma brucei	Aminopeptidase M1, putative	0.021	0.0139	0.5
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.021	0.0139	0.0402
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.021	0.0139	0.0402
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.021	0.0139	0.5
Loa Loa (eye worm)	hypothetical protein	0.021	0.0139	0.0139
Brugia malayi	hypothetical protein	0.021	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0021	0.0021
Echinococcus granulosus	geminin	0.0205	0.0135	0.0388
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.021	0.0139	0.5
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.021	0.0139	0.5
Echinococcus granulosus	leukotriene A 4 hydrolase	0.3948	0.3469	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0045	0.0045
Brugia malayi	Peptidase family M1 containing protein	0.021	0.0139	0.0139

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 2.8184 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	4.6109 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.3753 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)	25.9185 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)	31.6228 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	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: CHEMBL1563563
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 871987