TDR Targets

Basic information

Technical information

TDR Targets ID: 315942
Name: 7-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)hep tan-1-one
MW: 334.412 | Formula: C21H22N2O2
H donors: 0 H acceptors: 3 LogP: 5.3 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1nnc(o1)c1ccccc1)CCCCCCc1ccccc1
InChi: 1S/C21H22N2O2/c24-19(16-10-2-1-5-11-17-12-6-3-7-13-17)21-23-22-20(25-21)18-14-8-4-9-15-18/h3-4,6-9,12-15H,1-2,5,10-11,16H2
InChiKey: HQZDZQUKZOMFPX-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

7-phenyl-1-(5-phenyl-1,3,4-oxadiazol-2-yl)-1-heptanone

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	diacylglycerol lipase, alpha	Starlite/ChEMBL	References
Rattus norvegicus	Anandamide amidohydrolase	Starlite/ChEMBL	References
Mus musculus	fatty acid amide hydrolase	Starlite/ChEMBL	References
Homo sapiens	carboxylesterase 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Get druggable targets OG5_127783	All targets in OG5_127783
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	Get druggable targets OG5_129115	All targets in OG5_129115
Leishmania donovani	Lipase (class 3), putative	Get druggable targets OG5_129115	All targets in OG5_129115
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	Get druggable targets OG5_129115	All targets in OG5_129115
Trypanosoma congolense	lipase domain protein, putative	Get druggable targets OG5_129115	All targets in OG5_129115
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_129115	All targets in OG5_129115
Schistosoma japonicum	ko:K01175 fatty acid amide hydrolase [EC:3.1.-.-], putative	Get druggable targets OG5_127783	All targets in OG5_127783
Brugia malayi	Lipase family protein	Get druggable targets OG5_129115	All targets in OG5_129115
Trypanosoma cruzi	hypothetical protein, conserved	Get druggable targets OG5_129115	All targets in OG5_129115
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Trypanosoma brucei	lipase domain protein, putative	Get druggable targets OG5_129115	All targets in OG5_129115
Mycobacterium ulcerans	carboxylesterase, LipT	Get druggable targets OG5_127908	All targets in OG5_127908
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Get druggable targets OG5_127783	All targets in OG5_127783
Trichomonas vaginalis	lipase containing protein, putative	Get druggable targets OG5_129115	All targets in OG5_129115
Echinococcus multilocularis	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Trypanosoma cruzi	hypothetical protein, conserved	Get druggable targets OG5_129115	All targets in OG5_129115
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_129115	All targets in OG5_129115
Onchocerca volvulus		Get druggable targets OG5_129115	All targets in OG5_129115
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_129115	All targets in OG5_129115
Schistosoma mansoni	fatty-acid amide hydrolase	Get druggable targets OG5_127783	All targets in OG5_127783
Brugia malayi	amidase	Get druggable targets OG5_127783	All targets in OG5_127783
Echinococcus granulosus	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Trypanosoma brucei	lipase domain protein, putative	Get druggable targets OG5_129115	All targets in OG5_129115
Loa Loa (eye worm)	lipase	Get druggable targets OG5_129115	All targets in OG5_129115
Mycobacterium tuberculosis	Carboxylesterase LipT	Get druggable targets OG5_127908	All targets in OG5_127908
Echinococcus multilocularis	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Trichomonas vaginalis	lipase containing protein, putative	Get druggable targets OG5_129115	All targets in OG5_129115
Schistosoma mansoni	amidase	Get druggable targets OG5_127783	All targets in OG5_127783
Trypanosoma brucei gambiense	lipase domain protein, putative	Get druggable targets OG5_129115	All targets in OG5_129115
Candida albicans	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Trypanosoma congolense	lipase domain protein, putative	Get druggable targets OG5_129115	All targets in OG5_129115
Leishmania braziliensis	hypothetical protein, conserved	Get druggable targets OG5_129115	All targets in OG5_129115
Candida albicans	one of two amidase genes similar to S. pombe SPCC550.07 and to S. cerevisiae AMD2 (YDR242W)	Get druggable targets OG5_127783	All targets in OG5_127783
Candida albicans	hypothetical protein	Get druggable targets OG5_127783	All targets in OG5_127783
Echinococcus granulosus	fatty acid amide hydrolase 1	Get druggable targets OG5_127783	All targets in OG5_127783

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	fatty acid amide hydrolase 1	Anandamide amidohydrolase	579 aa	470 aa	28.7 %
Brugia malayi	Carboxylesterase family protein	carboxylesterase 1	567 aa	532 aa	24.1 %
Onchocerca volvulus		Anandamide amidohydrolase	579 aa	539 aa	34.7 %
Schistosoma japonicum	Fatty-acid amide hydrolase 1, putative	Anandamide amidohydrolase	579 aa	499 aa	24.6 %
Trypanosoma cruzi	amidase, putative	fatty acid amide hydrolase	579 aa	467 aa	26.6 %
Echinococcus multilocularis	fatty acid amide hydrolase 1	Anandamide amidohydrolase	579 aa	470 aa	28.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trypanosoma cruzi	hypothetical protein, conserved	0.0173	0.6774	1
Brugia malayi	Amidase family protein	0.003	0.0491	0.0491
Loa Loa (eye worm)	amidase	0.003	0.0491	0.0491
Loa Loa (eye worm)	carboxylesterase	0.0021	0.0098	0.0098
Loa Loa (eye worm)	acetylcholinesterase 1	0.0021	0.0098	0.0098
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0021	0.0098	0.0098
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.007	0.2249	0.2249
Mycobacterium ulcerans	amidase	0.003	0.0491	0.0684
Plasmodium falciparum	DNA topoisomerase 2	0.007	0.2249	1
Trichomonas vaginalis	DNA topoisomerase II, putative	0.007	0.2249	0.332
Toxoplasma gondii	DNA topoisomerase 2, putative	0.007	0.2249	1
Loa Loa (eye worm)	hypothetical protein	0.0246	1	1
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.0173	0.6774	0.6774
Brugia malayi	hypothetical protein	0.0021	0.0098	0.0098
Brugia malayi	Lipase family protein	0.0173	0.6774	0.6774
Trichomonas vaginalis	lipase containing protein, putative	0.0173	0.6774	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0098
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.003	0.0491	0.2184
Schistosoma mansoni	fatty-acid amide hydrolase	0.003	0.0491	0.0491
Onchocerca volvulus	Putative DNA topoisomerase 2, mitochondrial	0.0051	0.1407	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0031	0.054	0.054
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.003	0.0491	0.0491
Plasmodium vivax	DNA gyrase subunit B, putative	0.0023	0.0194	0.0864
Trypanosoma cruzi	amidase, putative	0.003	0.0491	0.0725
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0021	0.0098	0.0145
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0021	0.0098	0.0098
Mycobacterium ulcerans	peptide amidase, GatA	0.003	0.0491	0.0684
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0051	0.1407	0.1961
Loa Loa (eye worm)	hypothetical protein	0.0031	0.054	0.054
Echinococcus granulosus	acetylcholinesterase	0.0021	0.0098	0.0098
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0063	0.1941	0.2865
Schistosoma mansoni	DNA topoisomerase II	0.007	0.2249	0.2249
Trypanosoma brucei	lipase domain protein, putative	0.0173	0.6774	1
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.007	0.2249	0.2249
Brugia malayi	Carboxylesterase family protein	0.0021	0.0098	0.0098
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.003	0.0491	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0021	0.0098	0.0137
Loa Loa (eye worm)	carboxylesterase	0.0021	0.0098	0.0098
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.003	0.0491	1
Mycobacterium ulcerans	DNA gyrase subunit B	0.0023	0.0194	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0098
Leishmania major	DNA topoisomerase ii	0.0063	0.1941	0.2865
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0098
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0063	0.1941	0.2865
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.003	0.0491	0.0491
Echinococcus multilocularis	carboxylesterase 5A	0.0021	0.0098	0.0098
Loa Loa (eye worm)	TOPoisomerase family member	0.007	0.2249	0.2249
Mycobacterium ulcerans	amidase	0.003	0.0491	0.0684
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1241	0.1241
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.003	0.0491	0.0491
Schistosoma mansoni	acetylcholinesterase	0.0021	0.0098	0.0098
Echinococcus multilocularis	acetylcholinesterase	0.0021	0.0098	0.0098
Echinococcus multilocularis	neuroligin	0.0021	0.0098	0.0098
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0021	0.0098	0.0098
Echinococcus granulosus	fatty acid amide hydrolase 1	0.003	0.0491	0.0491
Schistosoma mansoni	amidase	0.0246	1	1
Brugia malayi	Carboxylesterase family protein	0.0021	0.0098	0.0098
Entamoeba histolytica	DNA topoisomerase II, putative	0.007	0.2249	1
Giardia lamblia	DNA topoisomerase II	0.0067	0.2114	1
Schistosoma mansoni	gliotactin	0.0021	0.0098	0.0098
Mycobacterium ulcerans	amidase	0.003	0.0491	0.0684
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0021	0.0098	0.0137
Trypanosoma cruzi	hypothetical protein, conserved	0.0173	0.6774	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0246	1	1
Leishmania major	mitochondrial DNA topoisomerase II	0.0055	0.1595	0.2354
Mycobacterium tuberculosis	DNA gyrase (subunit B) GyrB (DNA topoisomerase (ATP-hydrolysing)) (DNA topoisomerase II) (type II DNA topoisomerase)	0.0023	0.0194	0.0271
Brugia malayi	putative amidase	0.003	0.0491	0.0491
Chlamydia trachomatis	DNA gyrase subunit B	0.0038	0.0849	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0021	0.0098	0.0098
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.003	0.0491	0.0684
Echinococcus granulosus	acetylcholinesterase	0.0021	0.0098	0.0098
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0055	0.1595	0.2354
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.003	0.0491	0.5
Onchocerca volvulus		0.0173	0.6774	1
Echinococcus multilocularis	acetylcholinesterase	0.0021	0.0098	0.0098
Loa Loa (eye worm)	lipase	0.0173	0.6774	0.6774
Trypanosoma cruzi	amidase, putative	0.003	0.0491	0.0725
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0021	0.0098	0.0098
Trypanosoma brucei	DNA topoisomerase ii	0.0055	0.1595	0.2354
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.003	0.0491	0.0684
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0182	0.7182	1
Leishmania major	hypothetical protein, conserved	0.003	0.0491	0.0725
Brugia malayi	Carboxylesterase family protein	0.0021	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0098
Brugia malayi	Amidase family protein	0.003	0.0491	0.0491
Plasmodium falciparum	DNA gyrase subunit B	0.0023	0.0194	0.0864
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0021	0.0098	0.0098
Loa Loa (eye worm)	amidase	0.003	0.0491	0.0491
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0098
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0021	0.0098	0.0098
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.003	0.0491	0.0725
Mycobacterium ulcerans	amidase	0.003	0.0491	0.0684
Echinococcus granulosus	BC026374 protein S09 family	0.0021	0.0098	0.0098
Mycobacterium ulcerans	carboxylesterase, LipT	0.0182	0.7182	1
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.003	0.0491	0.4536
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0021	0.0098	0.0098
Schistosoma mansoni	fatty-acid amide hydrolase	0.0246	1	1
Leishmania major	hypothetical protein, conserved	0.0173	0.6774	1
Trichomonas vaginalis	lipase containing protein, putative	0.0173	0.6774	1
Loa Loa (eye worm)	hypothetical protein	0.0047	0.1241	0.1241
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0055	0.1595	0.2354
Echinococcus multilocularis	para nitrobenzyl esterase	0.0021	0.0098	0.0098
Brugia malayi	Carboxylesterase family protein	0.0021	0.0098	0.0098
Loa Loa (eye worm)	carboxylesterase	0.0021	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0098
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.003	0.0491	0.0684
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0246	1	1
Brugia malayi	Probable DNA topoisomerase II	0.007	0.2249	0.2249
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.003	0.0491	0.0684
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.007	0.2249	0.2249
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0246	1	1
Trichomonas vaginalis	spcc417.12 protein, putative	0.0021	0.0098	0.0145
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.0173	0.6774	0.6774
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0098	0.0098
Schistosoma mansoni	BC026374 protein (S09 family)	0.0021	0.0098	0.0098
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0063	0.1941	0.2865
Mycobacterium ulcerans	amidase	0.003	0.0491	0.0684
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.003	0.0491	0.0491
Plasmodium vivax	DNA topoisomerase II, putative	0.007	0.2249	1
Echinococcus granulosus	carboxylesterase 5A	0.0021	0.0098	0.0098
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.007	0.2249	0.2249
Toxoplasma gondii	ATPase/histidine kinase/DNA gyrase B/HSP90 domain-containing protein	0.0023	0.0194	0.0864
Brugia malayi	Carboxylesterase family protein	0.0021	0.0098	0.0098
Trypanosoma brucei	lipase domain protein, putative	0.0173	0.6774	1
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.003	0.0491	0.2184
Echinococcus granulosus	neuroligin	0.0021	0.0098	0.0098
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.003	0.0491	0.0684
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.003	0.0491	0.5
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.003	0.0491	0.0684
Treponema pallidum	DNA gyrase, subunit B (gyrB)	0.0023	0.0194	0.3958
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0246	1	1
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0063	0.1941	0.2865
Echinococcus granulosus	para nitrobenzyl esterase	0.0021	0.0098	0.0098
Wolbachia endosymbiont of Brugia malayi	DNA gyrase, topoisomerase II, B subunit, GyrB	0.0023	0.0194	0.3958
Onchocerca volvulus	DNA topoisomerase 2 homolog	0.0051	0.1407	0.1961
Brugia malayi	Carboxylesterase family protein	0.0021	0.0098	0.0098

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 5	Inhibition of full-length human DAGLalpha expressed in HEK293T cell membranes using para-nitrophenylbutyrate by colorimetric assay	ChEMBL.	26584396
IC50 (binding)	= 0.025 uM	Inhibition of rat FAAH expressed in Escherichia coli	ChEMBL.	18630870
IC50 (binding)	= 0.25 uM	Inhibition of TGH	ChEMBL.	18630870
IC50 (binding)	> 100 uM	Inhibition of KIAA1363 hydrolase	ChEMBL.	18630870
Ki (binding)	= 0.002 mM	Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or FP-Rh)	ChEMBL.	15713400
Ki (binding)	= 0.002 mM	Inhibitor affinity of the compound towards enzymes of class serine hydrolase was determined using biotin or fluorescent as radioligand (FP-biotin or FP-Rh)	ChEMBL.	15713400
Ki (binding)	= 2 nM	Inhibition of rat FAAH	ChEMBL.	18053726
Ki (binding)	= 2 nM	Inhibition of rat FAAH	ChEMBL.	18053726
Ki (binding)	= 2.2 nM	Inhibition of rat FAAH expressed in Escherichia coli at pH 9.0	ChEMBL.	18630870

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: CHEMBL178115
PubChem: 11709766

Bibliographic References

4 literature references were collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 315942