TDR Targets

Basic information

Technical information

TDR Targets ID: 1531463
Name: 3-(4-fluorophenyl)-N-(5-methyl-2-phenylpyrazo l-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
MW: 364.373 | Formula: C20H17FN4O2
H donors: 1 H acceptors: 2 LogP: 3.53 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1ON=C(C1)c1ccc(cc1)F)Nc1cc(nn1c1ccccc1)C
InChi: 1S/C20H17FN4O2/c1-13-11-19(25(23-13)16-5-3-2-4-6-16)22-20(26)18-12-17(24-27-18)14-7-9-15(21)10-8-14/h2-11,18H,12H2,1H3,(H,22,26)
InChiKey: VYCBCDICGFYGPS-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

3-(4-fluorophenyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)-4,5-dihydroisoxazole-5-carboxamide
3-(4-fluorophenyl)-N-(5-methyl-2-phenyl-3-pyrazolyl)-4,5-dihydroisoxazole-5-carboxamide
3-(4-fluorophenyl)-N-(5-methyl-2-phenyl-pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMR000095445
MLS000118504

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)	nuclear hormone receptor family member nhr-49	0.0031	0.0198	0.0185
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0058	0.0573	0.5
Onchocerca volvulus		0.0125	0.1493	0.6771
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0125	0.1493	0.1321
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0031	0.0198	0.0101
Schistosoma mansoni	ap endonuclease	0.0058	0.0573	0.0382
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.2158	0.5581
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0198	0.0101
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0031	0.0198	0.0101
Schistosoma mansoni	gliotactin	0.0125	0.1493	0.1321
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0058	0.0573	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0198	0.0185
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0263	0.3413	0.3348
Echinococcus multilocularis	para nitrobenzyl esterase	0.0125	0.1493	0.1321
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0031	0.0198	0.0101
Brugia malayi	hypothetical protein	0.0125	0.1493	0.1408
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0031	0.0198	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1493	0.1481
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0098	0.0573
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0085
Schistosoma mansoni	hypothetical protein	0.0353	0.4664	0.4556
Loa Loa (eye worm)	hypothetical protein	0.0738	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0125	0.1493	0.1321
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0058	0.0573	0.0382
Echinococcus granulosus	acetylcholinesterase	0.0738	1	1
Echinococcus granulosus	para nitrobenzyl esterase	0.0125	0.1493	0.1321
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0125	0.1493	0.1321
Schistosoma mansoni	acetylcholinesterase	0.0125	0.1493	0.1321
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.2158	0.5581
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.3413	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0031	0.0198	0.0185
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0198	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0198	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1493	0.1481
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0018	0.0014	0.0092
Echinococcus granulosus	carboxylesterase 5A	0.0738	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0024	0.0098	0.0573
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0125	0.1493	0.1321
Mycobacterium ulcerans	carboxylesterase, LipT	0.0125	0.1493	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1493	0.1481
Brugia malayi	Carboxylesterase family protein	0.0125	0.1493	0.1408
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1493	0.1481
Onchocerca volvulus		0.0031	0.0198	0.0486
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0263	0.3413	0.3404
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0058	0.0573	0.5
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0024	0.0098	0.0659
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0125	0.1493	0.1321
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0058	0.0573	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0198	0.0185
Schistosoma mansoni	hypothetical protein	0.0353	0.4664	0.4556
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.2158	0.5581
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0098	0.0573
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.2158	0.5581
Brugia malayi	steroid hormone receptor	0.0031	0.0198	0.0101
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0125	0.1493	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.2158	0.5581
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1493	0.1481
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0198	0.0185
Toxoplasma gondii	exonuclease III APE	0.0058	0.0573	0.5
Brugia malayi	Carboxylesterase family protein	0.0738	1	1
Echinococcus granulosus	BC026374 protein S09 family	0.0125	0.1493	0.1321
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.2287	0.6035
Brugia malayi	Carboxylesterase family protein	0.0125	0.1493	0.1408
Onchocerca volvulus	Bile acid receptor homolog	0.0031	0.0198	0.0486
Echinococcus multilocularis	acetylcholinesterase	0.0738	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0085
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0058	0.0573	0.5
Mycobacterium ulcerans	hypothetical protein	0.0024	0.0098	0.0573
Brugia malayi	exodeoxyribonuclease III family protein	0.0058	0.0573	0.0479
Brugia malayi	Steroid receptor seven-up type 2	0.0031	0.0198	0.0101
Onchocerca volvulus		0.0125	0.1493	0.6771
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0031	0.0198	0.0101
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0198	0.0101
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0031	0.0198	0.0101
Loa Loa (eye worm)	carboxylesterase	0.0125	0.1493	0.1481
Echinococcus granulosus	neuroligin	0.0125	0.1493	0.1321
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0058	0.0573	0.3838
Echinococcus multilocularis	carboxylesterase 5A	0.0738	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0031	0.0198	0.0101
Echinococcus multilocularis	geminin	0.0353	0.4664	0.4556
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0058	0.0573	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1493	0.1481
Brugia malayi	Nuclear hormone receptor-like 1	0.0031	0.0198	0.0101
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0125	0.1493	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0031	0.0198	0.0185
Loa Loa (eye worm)	carboxylesterase	0.0125	0.1493	0.1481
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0125	0.1493	0.1321
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0098	0.5
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0058	0.0573	0.5
Onchocerca volvulus	Glucosylceramidase homolog	0.0173	0.2158	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0031	0.0198	0.0101
Onchocerca volvulus		0.0125	0.1493	0.6771
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0058	0.0573	0.056
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.3413	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0098	0.0085
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0058	0.0573	0.3781
Brugia malayi	nuclear hormone receptor	0.0031	0.0198	0.0101
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0058	0.0573	0.5
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0198	0.0185
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.2158	0.5581
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0031	0.0198	0.0101
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0198	0.0185
Onchocerca volvulus		0.0125	0.1493	0.6771
Brugia malayi	Carboxylesterase family protein	0.0125	0.1493	0.1408
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0125	0.1493	0.3239
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0031	0.0198	0.0185
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0738	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0125	0.1493	0.1321
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.3413	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0125	0.1493	0.1321
Mycobacterium ulcerans	acyl-CoA synthetase	0.0024	0.0098	0.0573
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0031	0.0198	0.0185
Echinococcus multilocularis	acetylcholinesterase	0.0738	1	1
Onchocerca volvulus		0.0125	0.1493	0.6771
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0018	0.0014	0.5
Trichomonas vaginalis	glucosylceramidase, putative	0.0173	0.2158	0.5581
Trichomonas vaginalis	glucosylceramidase, putative	0.0182	0.2287	0.6035
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0125	0.1493	1
Loa Loa (eye worm)	acetylcholinesterase 1	0.0738	1	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0031	0.0198	0.0486
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0058	0.0573	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.3413	1
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0058	0.0573	0.0382
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0024	0.0098	0.0573
Brugia malayi	ecdysteroid receptor	0.0031	0.0198	0.0101
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0024	0.0098	0.0573
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.3413	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0024	0.0098	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0031	0.0198	0.0101
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0031	0.0198	0.0185
Onchocerca volvulus	Protein ultraspiracle homolog	0.0031	0.0198	0.0486
Loa Loa (eye worm)	hypothetical protein	0.0738	1	1
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0024	0.0098	0.0659
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0031	0.0198	0.0185
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0198	0.0185
Loa Loa (eye worm)	carboxylesterase	0.0738	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0031	0.0198	0.0101
Trichomonas vaginalis	spcc417.12 protein, putative	0.0125	0.1493	0.3239
Echinococcus granulosus	geminin	0.0353	0.4664	0.4556
Echinococcus granulosus	acetylcholinesterase	0.0738	1	1
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0058	0.0573	1
Loa Loa (eye worm)	hypothetical protein	0.0125	0.1493	0.1481
Brugia malayi	Carboxylesterase family protein	0.0125	0.1493	0.1408
Schistosoma mansoni	ap endonuclease	0.0058	0.0573	0.0382
Loa Loa (eye worm)	steroid hormone receptor	0.0031	0.0198	0.0185
Echinococcus multilocularis	neuroligin	0.0125	0.1493	0.1321
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0024	0.0098	0.0573
Brugia malayi	nuclear receptor NHR-88	0.0031	0.0198	0.0101
Trichomonas vaginalis	glucosylceramidase, putative	0.0263	0.3413	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0198	0.0185

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	> 100 uM	PUBCHEM_BIOASSAY: SAR analysis of small molecule Activators of Apaf-1 in a Fluorescent assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	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: CHEMBL1725946

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 1531463