TDR Targets

Basic information

Technical information

TDR Targets ID: 1640743
Name: 2-fluoro-N-[4-[5-(3-morpholin-4-ylpropylamino )-1,3,4-oxadiazol-2-yl]phenyl]benzamide
MW: 425.456 | Formula: C22H24FN5O3
H donors: 2 H acceptors: 3 LogP: 2.69 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1F)Nc1ccc(cc1)c1nnc(o1)NCCCN1CCOCC1
InChi: 1S/C22H24FN5O3/c23-19-5-2-1-4-18(19)20(29)25-17-8-6-16(7-9-17)21-26-27-22(31-21)24-10-3-11-28-12-14-30-15-13-28/h1-2,4-9H,3,10-15H2,(H,24,27)(H,25,29)
InChiKey: MUIPFQAYLPYEPC-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-fluoro-N-[4-[5-(3-morpholinopropylamino)-1,3,4-oxadiazol-2-yl]phenyl]benzamide

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cholinergic receptor, nicotinic, alpha 7 (neuronal)	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130932	All targets in OG5_130932
Onchocerca volvulus		Get druggable targets OG5_130932	All targets in OG5_130932
Onchocerca volvulus		Get druggable targets OG5_130932	All targets in OG5_130932
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-7 precursor, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-7 precursor, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130932	All targets in OG5_130932
Brugia malayi	Cation transporter family protein	Get druggable targets OG5_130932	All targets in OG5_130932
Onchocerca volvulus		Get druggable targets OG5_130932	All targets in OG5_130932
Schistosoma japonicum	ko:K04809 cholinergic receptor, nicotinic, alpha 7, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Schistosoma mansoni	nAChR subunit (ShAR1-beta-like)	Get druggable targets OG5_130932	All targets in OG5_130932
Schistosoma japonicum	Neuronal acetylcholine receptor subunit alpha-7 precursor, putative	Get druggable targets OG5_130932	All targets in OG5_130932
Schistosoma japonicum	IPR006201,Neurotransmitter-gated ion-channel;IPR006029,Neurotransmitter-gated ion-channel transmembrane region,domain-containing	Get druggable targets OG5_130932	All targets in OG5_130932
Schistosoma mansoni	nAChR subunit (ShAR1-alpha-like)	Get druggable targets OG5_130932	All targets in OG5_130932
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130932	All targets in OG5_130932

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	acetylcholine receptor alpha subunit precursor, putative	cholinergic receptor, nicotinic, alpha 7 (neuronal)	502 aa	513 aa	33.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	TK protein kinase	0.0568	0.906	0.906
Schistosoma mansoni	vav2	0.0135	0.0782	0.0658
Brugia malayi	Protein kinase domain containing protein	0.0177	0.1592	0.1478
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0617	1	1
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0177	0.1592	0.1418
Schistosoma mansoni	tensin	0.0135	0.0782	0.0658
Echinococcus granulosus	tyrosine kinase	0.0177	0.1592	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0133	0.0133
Brugia malayi	SH2 domain containing protein	0.0135	0.0782	0.0658
Loa Loa (eye worm)	RhoGAP domain-containing protein	0.0135	0.0782	0.0782
Brugia malayi	STAT protein, DNA binding domain containing protein	0.0135	0.0782	0.0658
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0568	0.906	0.898
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Brugia malayi	Variant SH3 domain containing protein	0.0184	0.1722	0.1611
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Echinococcus granulosus	tyrosine protein kinase Blk	0.0568	0.906	0.898
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0525	0.825	0.8102
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0617	1	1
Schistosoma mansoni	protein tyrosine phosphatase n11 (shp2)	0.0135	0.0782	0.0658
Schistosoma mansoni	tyrosine kinase	0.0226	0.2532	0.2431
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0133	0.0133
Onchocerca volvulus		0.0177	0.1592	1
Brugia malayi	SH2 domain containing protein	0.0177	0.1592	0.1478
Schistosoma mansoni	signal transduction protein lnk-related	0.0135	0.0782	0.0658
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0617	1	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0617	1	1
Brugia malayi	Protein kinase domain containing protein	0.0177	0.1592	0.1478
Schistosoma mansoni	tyrosine kinase	0.0226	0.2532	0.2431
Loa Loa (eye worm)	SRC-1	0.0617	1	1
Brugia malayi	SH2 domain containing protein	0.0135	0.0782	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1722	0.1722
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0135	0.0782	0.0658
Schistosoma mansoni	tyrosine-protein kinase zap-70	0.0135	0.0782	0.0658
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0617	1	1
Onchocerca volvulus		0.0135	0.0782	0.4451
Brugia malayi	SH2 domain containing protein	0.0135	0.0782	0.0658
Schistosoma mansoni	tyrosine kinase	0.0177	0.1592	0.1478
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0617	1	1
Onchocerca volvulus	Suppressor of cytokine signaling at 36E homolog	0.0135	0.0782	0.4451
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0184	0.1722	0.1722
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Loa Loa (eye worm)	SH2 domain-containing protein	0.0135	0.0782	0.0782
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0226	0.2532	0.1898
Onchocerca volvulus		0.0177	0.1592	1
Loa Loa (eye worm)	cytokine inducible SH2-containing protein 5	0.0135	0.0782	0.0782
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0177	0.1592	0.0878
Schistosoma mansoni	tensin	0.0135	0.0782	0.0658
Loa Loa (eye worm)	TK protein kinase	0.0433	0.649	0.649
Brugia malayi	Protein kinase domain containing protein	0.0177	0.1592	0.1478
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Brugia malayi	RhoGAP domain containing protein	0.0135	0.0782	0.0658
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0617	1	1
Brugia malayi	SH2 domain containing protein	0.0135	0.0782	0.0658
Schistosoma mansoni	adapter molecule crk	0.0184	0.1722	0.1611
Onchocerca volvulus		0.0135	0.0782	0.4451
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0617	1	1
Echinococcus multilocularis	growth factor receptor bound protein 2	0.0184	0.1722	0.102
Brugia malayi	Protein kinase domain containing protein	0.0177	0.1592	0.1478
Loa Loa (eye worm)	TK/ABL protein kinase	0.0177	0.1592	0.1592
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase abl1	0.0184	0.1722	0.1611
Loa Loa (eye worm)	protein-tyrosine phosphatase	0.0135	0.0782	0.0782
Schistosoma mansoni	tensin-related	0.0135	0.0782	0.0658
Echinococcus granulosus	tyrosine protein kinase HCK	0.0433	0.649	0.6192
Schistosoma mansoni	tyrosine kinase	0.0177	0.1592	0.1478
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592
Brugia malayi	SH2 domain containing protein	0.0135	0.0782	0.0658
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592
Schistosoma mansoni	tyrosine kinase	0.0617	1	1
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0617	1	1
Echinococcus multilocularis	tyrosine kinase	0.0177	0.1592	0.0878
Echinococcus multilocularis	tyrosine protein kinase shark	0.0177	0.1592	0.0878
Schistosoma mansoni	hypothetical protein	0.0135	0.0782	0.0658
Schistosoma mansoni	tyrosine kinase	0.0617	1	1
Loa Loa (eye worm)	SH2 domain-containing protein	0.0135	0.0782	0.0782
Schistosoma mansoni	shc transforming protein	0.0135	0.0782	0.0658
Onchocerca volvulus		0.0135	0.0782	0.4451
Onchocerca volvulus		0.0177	0.1592	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592
Brugia malayi	Protein-tyrosine phosphatase containing protein	0.0135	0.0782	0.0658
Brugia malayi	Sex muscle abnormal protein 5	0.0184	0.1722	0.1611
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0617	1	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0226	0.2532	0.1898
Brugia malayi	Protein kinase domain containing protein	0.0177	0.1592	0.1478
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0525	0.825	0.8102
Brugia malayi	tRNA modification GTPase TrmE family protein	0.0135	0.0782	0.0658
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0568	0.906	0.898
Onchocerca volvulus		0.0177	0.1592	1
Schistosoma mansoni	suppressor of cytokine signaling	0.0135	0.0782	0.0658
Echinococcus granulosus	tyrosine kinase	0.0568	0.906	0.898
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0177	0.1592	0.0878
Schistosoma mansoni	growth factor receptor-bound protein	0.0184	0.1722	0.1611
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592
Brugia malayi	Variant SH3 domain containing protein	0.0135	0.0782	0.0658
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0617	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0617	1	1
Onchocerca volvulus		0.0135	0.0782	0.4451
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0433	0.649	0.6192
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Schistosoma mansoni	tensin-related	0.0135	0.0782	0.0658
Onchocerca volvulus	Suppressor of cytokine signaling 7 homolog	0.0135	0.0782	0.4451
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0177	0.1592	0.0878
Loa Loa (eye worm)	STAT protein	0.0135	0.0782	0.0782
Onchocerca volvulus		0.0135	0.0782	0.4451
Echinococcus multilocularis	c src tyrosine kinase	0.0226	0.2532	0.1898
Brugia malayi	hypothetical protein	0.0177	0.1592	0.1478
Brugia malayi	Tyrosine-protein kinase abl-1	0.0226	0.2532	0.2431
Brugia malayi	SH2 domain containing protein	0.0135	0.0782	0.0658
Schistosoma mansoni	nck2/grb4	0.0184	0.1722	0.1611
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0617	1	1
Schistosoma mansoni	suppressor of cytokine signaling	0.0135	0.0782	0.0658
Echinococcus granulosus	tyrosine protein kinase Srms	0.0177	0.1592	0.0878
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Brugia malayi	Tensin	0.0135	0.0782	0.0658
Echinococcus granulosus	NCK adaptor protein	0.0184	0.1722	0.102
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0617	1	1
Echinococcus granulosus	tyrosine protein kinase shark	0.0177	0.1592	0.0878
Schistosoma mansoni	SH2A	0.0135	0.0782	0.0658
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0568	0.906	0.898
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0135	0.0782	0.0782
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Brugia malayi	SH2 domain containing protein	0.0135	0.0782	0.0658
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0226	0.2532	0.1898
Echinococcus multilocularis	NCK adaptor protein	0.0184	0.1722	0.102
Brugia malayi	SH2 domain containing protein	0.0177	0.1592	0.1478
Schistosoma mansoni	GTPase activating protein	0.0135	0.0782	0.0658
Brugia malayi	Variant SH3 domain containing protein	0.0184	0.1722	0.1611
Brugia malayi	Variant SH3 domain containing protein	0.0135	0.0782	0.0658
Onchocerca volvulus		0.0177	0.1592	1
Schistosoma mansoni	hypothetical protein	0.0135	0.0782	0.0658
Brugia malayi	protein-tyrosine kinase	0.0568	0.906	0.9047
Schistosoma mansoni	chimerin-related rho-gtpase-activating protein	0.0135	0.0782	0.0658
Schistosoma mansoni	growth factor receptor-bound protein	0.0184	0.1722	0.1611
Onchocerca volvulus		0.0177	0.1592	1
Brugia malayi	cytokine inducible SH2-containing protein 5	0.0135	0.0782	0.0658
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0226	0.2532	0.2431
Loa Loa (eye worm)	SH2 domain-containing protein	0.0135	0.0782	0.0782
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0617	1	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592
Loa Loa (eye worm)	sex muscle abnormal protein 5	0.0184	0.1722	0.1722
Echinococcus granulosus	growth factor receptor bound protein 2	0.0184	0.1722	0.102
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0617	1	1
Schistosoma mansoni	tensin	0.0135	0.0782	0.0658
Brugia malayi	hypothetical protein	0.0135	0.0782	0.0658
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0617	1	1
Loa Loa (eye worm)	hypothetical protein	0.0177	0.1592	0.1592
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592
Loa Loa (eye worm)	hypothetical protein	0.0135	0.0782	0.0782
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0177	0.1592	0.0878
Entamoeba histolytica	protein kinase, putative	0.0433	0.649	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0568	0.906	0.898
Onchocerca volvulus		0.0135	0.0782	0.4451
Echinococcus granulosus	c src tyrosine kinase	0.0226	0.2532	0.1898
Loa Loa (eye worm)	TK/FER protein kinase	0.0177	0.1592	0.1592

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 70 %	Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay relative to control	ChEMBL.	22503453
EC50 (functional)	= 6.5	Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay	ChEMBL.	22503248
EC50 (functional)	= 6.5	Agonist activity at human alpha7 nAChR expressed in GH4C1 cells by FLIPR assay	ChEMBL.	22503453
IC50 (binding)	= 4.5	Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay	ChEMBL.	22503248
IC50 (binding)	= 4.5	Displacement of [3H]Dofetilide from human ERG expressed in CHO-K1 cells by scintillation proximity assay	ChEMBL.	22503453

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: CHEMBL2022497

Bibliographic References

2 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 1640743