TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.448 | Formula: C26H20FN2O2+
H donors: 0 H acceptors: 1 LogP: 5.42 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C(=O)C[n+]1ccn(c1)Cc1c(oc2c1cccc2)c1ccccc1
InChi: 1S/C26H20FN2O2/c27-21-12-10-19(11-13-21)24(30)17-29-15-14-28(18-29)16-23-22-8-4-5-9-25(22)31-26(23)20-6-2-1-3-7-20/h1-15,18H,16-17H2/q+1
InChiKey: GZBUSXGTOZBNBO-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

No synonyms found for this compound

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
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0184	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0148	0.0148
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0143	0.1073	0.1073
Loa Loa (eye worm)	acetylcholinesterase 1	0.0019	0.0013	0.0013
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0143	0.1073	0.1073
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1188	1	1
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0143	0.1073	0.5
Trypanosoma cruzi	amidase, putative	0.0143	0.1073	0.2139
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0148	0.0148
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0019	0.0013	0.0026
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0092	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0013
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0168	0.1286	1
Brugia malayi	Amidase family protein	0.0143	0.1073	0.1073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0092	0.0183
Trypanosoma brucei	phosphatidylinositol 3-kinase tor, putative	0.0025	0.0062	0.0123
Brugia malayi	Carboxylesterase family protein	0.0019	0.0013	0.0013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0118	0.0235
Trypanosoma cruzi	amidase, putative	0.0143	0.1073	0.2139
Echinococcus granulosus	BC026374 protein S09 family	0.0019	0.0013	0.0013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0092	0.0184
Onchocerca volvulus		0.0605	0.5017	1
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0019	0.0013	0.0013
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0244	0.1934	0.1934
Echinococcus granulosus	histone lysine methyltransferase setb	0.0035	0.0148	0.0148
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0019	0.0013	0.0013
Brugia malayi	Amidase family protein	0.0143	0.1073	0.1073
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0143	0.1073	0.1073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0207	0.0413
Onchocerca volvulus		0.0035	0.0148	0.027
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0053	0.0299	0.0596
Mycobacterium ulcerans	carboxylesterase, LipT	0.0168	0.1286	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.0151	0.0301
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0053	0.0299	0.0299
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0143	0.1073	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0019	0.0013	0.0013
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0042	0.0207	0.0413
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0143	0.1073	0.8327
Brugia malayi	putative amidase	0.0143	0.1073	0.1073
Echinococcus multilocularis	para nitrobenzyl esterase	0.0019	0.0013	0.0013
Echinococcus granulosus	acetylcholinesterase	0.0019	0.0013	0.0013
Echinococcus multilocularis	acetylcholinesterase	0.0019	0.0013	0.0013
Schistosoma mansoni	BC026374 protein (S09 family)	0.0019	0.0013	0.0013
Loa Loa (eye worm)	phosphatidylinositol 3	0.0053	0.0299	0.0299
Brugia malayi	Carboxylesterase family protein	0.0019	0.0013	0.0013
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0143	0.1073	0.5
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0013
Loa Loa (eye worm)	amidase	0.0143	0.1073	0.1073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0184	0.0366
Trypanosoma cruzi	hypothetical protein, conserved	0.0605	0.5017	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0115	0.023
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0143	0.1073	0.8327
Schistosoma mansoni	acetylcholinesterase	0.0019	0.0013	0.0013
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0034	0.0137	0.0137
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1188	1	1
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0019	0.0013	0.0013
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0053	0.0299	0.0596
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0143	0.1073	0.8327
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0143	0.1073	0.2139
Echinococcus multilocularis	carboxylesterase 5A	0.0019	0.0013	0.0013
Brugia malayi	Carboxylesterase family protein	0.0019	0.0013	0.0013
Schistosoma mansoni	amidase	0.1188	1	1
Echinococcus granulosus	acetylcholinesterase	0.0019	0.0013	0.0013
Trypanosoma cruzi	hypothetical protein, conserved	0.0605	0.5017	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0233	0.0465
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0299	0.0596
Giardia lamblia	GTOR	0.0053	0.0299	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0207	0.0413
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0143	0.1073	0.1073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0207	0.0413
Brugia malayi	Carboxylesterase family protein	0.0019	0.0013	0.0013
Echinococcus multilocularis	neuroligin	0.0019	0.0013	0.0013
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0143	0.1073	0.5
Schistosoma mansoni	gliotactin	0.0019	0.0013	0.0013
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0148	0.0148
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0053	0.0299	0.0596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0184	0.0366
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0143	0.1073	0.5
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0053	0.0299	0.0299
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0042	0.0207	0.0413
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0143	0.1073	0.8327
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0019	0.0013	0.0013
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0035	0.0148	0.0148
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0184	0.0366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0207	0.0413
Echinococcus granulosus	sn1 specific diacylglycerol lipase beta	0.0605	0.5017	0.5017
Brugia malayi	Lipase family protein	0.0605	0.5017	0.5017
Brugia malayi	Pre-SET motif family protein	0.0244	0.1934	0.1934
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0053	0.0299	0.0299
Loa Loa (eye worm)	carboxylesterase	0.0019	0.0013	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0013
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1188	1	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1188	1	1
Onchocerca volvulus		0.0278	0.2222	0.4413
Loa Loa (eye worm)	lipase	0.0605	0.5017	0.5017
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0184	0.0366
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0042	0.0207	0.0413
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0299	0.0596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0053	0.0299	0.0596
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0092	0.0183
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0013
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0019	0.0013	0.0013
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0143	0.1073	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0118	0.0235
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0019	0.0013	0.0013
Trichomonas vaginalis	lipase containing protein, putative	0.0605	0.5017	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0013
Schistosoma mansoni	fatty-acid amide hydrolase	0.1188	1	1
Echinococcus granulosus	neuroligin	0.0019	0.0013	0.0013
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0143	0.1073	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0092	0.0183
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0143	0.1073	0.1073
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0053	0.0299	0.0596
Trypanosoma brucei	lipase domain protein, putative	0.0605	0.5017	1
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0053	0.0299	0.0596
Brugia malayi	Carboxylesterase family protein	0.0019	0.0013	0.0013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0118	0.0235
Trichomonas vaginalis	spcc417.12 protein, putative	0.0019	0.0013	0.0026
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0019	0.0013	0.0013
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0053	0.0299	0.5
Loa Loa (eye worm)	carboxylesterase	0.0019	0.0013	0.0013
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0035	0.0148	0.0148
Echinococcus multilocularis	sn1 specific diacylglycerol lipase beta	0.0605	0.5017	0.5017
Brugia malayi	hypothetical protein	0.0019	0.0013	0.0013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0034	0.0141	0.0282
Trypanosoma brucei	lipase domain protein, putative	0.0605	0.5017	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0035	0.0148	0.0148
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0143	0.1073	0.8327
Echinococcus multilocularis	acetylcholinesterase	0.0019	0.0013	0.0013
Trichomonas vaginalis	lipase containing protein, putative	0.0605	0.5017	1
Loa Loa (eye worm)	hypothetical protein	0.1188	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0031	0.0115	0.023
Brugia malayi	Carboxylesterase family protein	0.0019	0.0013	0.0013
Leishmania major	hypothetical protein, conserved	0.0605	0.5017	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0013
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0053	0.0299	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0092	0.0184
Loa Loa (eye worm)	amidase	0.0143	0.1073	0.1073
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0184	0.0366
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0053	0.0299	0.0596
Leishmania major	hypothetical protein, conserved	0.0143	0.1073	0.2139
Brugia malayi	Pre-SET motif family protein	0.0035	0.0148	0.0148
Echinococcus granulosus	carboxylesterase 5A	0.0019	0.0013	0.0013
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0053	0.0299	0.0299
Trypanosoma cruzi	target of rapamycin kinase 3	0.0042	0.0207	0.0413
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0019	0.0013	0.0013
Schistosoma mansoni	fatty-acid amide hydrolase	0.0143	0.1073	0.1073
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0039	0.0184	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0039	0.0184	0.0366
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0013
Loa Loa (eye worm)	carboxylesterase	0.0019	0.0013	0.0013
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0028	0.0092	0.0184
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0013	0.0013
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0035	0.0148	0.0148
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0022	0.0036	0.0072
Trichomonas vaginalis	set domain proteins, putative	0.0278	0.2222	0.4428

Activities

No activities found for this compound.

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: CHEMBL3041083

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 1799556