TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 411.441 | Formula: C24H23F2NO3
H donors: 0 H acceptors: 0 LogP: 4.77 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(cc2c1OCCN(C2)Cc1cc(F)ccc1F)c1cccc(c1)OC
InChi: 1S/C24H23F2NO3/c1-28-21-5-3-4-16(12-21)17-10-19-15-27(8-9-30-24(19)23(13-17)29-2)14-18-11-20(25)6-7-22(18)26/h3-7,10-13H,8-9,14-15H2,1-2H3
InChiKey: GUUYFHHWIFANIJ-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

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
Leishmania major	trypanothione reductase	0.0046	0.0155	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0054	0.0054
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0046	0.0155	0.0432
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0051	0.0195	0.0195
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0105	0.0697	0.8566
Trichomonas vaginalis	spcc417.12 protein, putative	0.019	0.1467	1
Onchocerca volvulus		0.019	0.1467	1
Brugia malayi	hypoxia-induced factor 1	0.0452	0.3871	0.3871
Brugia malayi	Carboxylesterase family protein	0.019	0.1467	0.1467
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0038	0.0079	0.2547
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0181	0.1392	0.1392
Echinococcus multilocularis	Aryl hydrocarbon receptor nuclear	0.0038	0.0079	0.0079
Brugia malayi	hypothetical protein	0.019	0.1467	0.1467
Leishmania major	PAS-domain containing phosphoglycerate kinase, putative	0.0038	0.0079	0.2547
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1122	1	1
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0313	0.2595	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0054
Echinococcus multilocularis	para nitrobenzyl esterase	0.019	0.1467	0.1467
Loa Loa (eye worm)	carboxylesterase	0.1122	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.019	0.1467	0.1467
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0048	0.0048
Brugia malayi	hypothetical protein	0.049	0.4218	0.4218
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0056	0.0056
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0181	0.1392	0.1392
Echinococcus multilocularis	geminin	0.017	0.129	0.129
Brugia malayi	beta-lactamase	0.0035	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.1122	1	1
Echinococcus granulosus	single minded 2	0.0108	0.0722	0.0722
Schistosoma mansoni	hypothetical protein	0.017	0.129	0.129
Loa Loa (eye worm)	glutathione reductase	0.0046	0.0155	0.0155
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0291	0.2394	1
Onchocerca volvulus		0.0108	0.0722	0.492
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0079	0.0079
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0079	0.0182
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0105	0.0697	0.2747
Loa Loa (eye worm)	hypothetical protein	0.019	0.1467	0.1467
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0054	0.0054
Echinococcus multilocularis	transfer RNA-Lys	0.0108	0.0722	0.0722
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0181	0.1392	0.1392
Loa Loa (eye worm)	aryl Hydrocarbon receptor Associated protein family member	0.0038	0.0079	0.0079
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0054	0.0054
Brugia malayi	Carboxylesterase family protein	0.019	0.1467	0.1467
Leishmania major	protein kinase, putative	0.0038	0.0079	0.2547
Trichomonas vaginalis	adenylate cyclase, type VII, putative	0.0038	0.0079	0.0182
Loa Loa (eye worm)	hypothetical protein	0.019	0.1467	0.1467
Loa Loa (eye worm)	hypothetical protein	0.019	0.1467	0.1467
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0054	0.3466
Echinococcus granulosus	acetylcholinesterase	0.1122	1	1
Echinococcus multilocularis	neuroligin	0.019	0.1467	0.1467
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0051	0.0195	0.0195
Echinococcus granulosus	carboxylesterase 5A	0.1122	1	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0054
Echinococcus multilocularis	jumonji domain containing protein	0.0041	0.0105	0.0105
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0038	0.0079	0.0182
Loa Loa (eye worm)	hypothetical protein	0.019	0.1467	0.1467
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0056	0.0056
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.019	0.1467	0.6039
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0181	0.1392	0.1392
Loa Loa (eye worm)	jmjC domain-containing protein	0.006	0.0286	0.0286
Trichomonas vaginalis	soluble guanylate cyclase gcy, putative	0.0038	0.0079	0.0182
Loa Loa (eye worm)	thioredoxin reductase	0.0046	0.0155	0.0155
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0056	0.0056
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0786	0.6926	0.6926
Loa Loa (eye worm)	carboxylesterase	0.019	0.1467	0.1467
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0038	0.0079	0.2547
Toxoplasma gondii	ABC1 family protein	0.0035	0.0054	0.3466
Plasmodium falciparum	thioredoxin reductase	0.0046	0.0155	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0105	0.0697	0.2747
Loa Loa (eye worm)	hypothetical protein	0.019	0.1467	0.1467
Onchocerca volvulus		0.019	0.1467	1
Echinococcus multilocularis	carboxylesterase 5A	0.1122	1	1
Onchocerca volvulus		0.0035	0.0054	0.0366
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0038	0.0079	0.0182
Loa Loa (eye worm)	acetylcholinesterase 1	0.1122	1	1
Echinococcus granulosus	neuroligin	0.019	0.1467	0.1467
Brugia malayi	jmjC domain containing protein	0.0035	0.0056	0.0056
Schistosoma mansoni	gliotactin	0.019	0.1467	0.1467
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0181	0.1392	0.1392
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0195	0.0195
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.019	0.1467	0.6039
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.019	0.1467	0.1467
Loa Loa (eye worm)	hypoxia-induced factor 1	0.0452	0.3871	0.3871
Echinococcus multilocularis	acetylcholinesterase	0.1122	1	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0048	0.0048
Brugia malayi	Thioredoxin reductase	0.0046	0.0155	0.0155
Brugia malayi	Carboxylesterase family protein	0.019	0.1467	0.1467
Giardia lamblia	PHD finger protein 15	0.0029	0	0.5
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0313	0.2595	1
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0056	0.0056
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0054
Onchocerca volvulus		0.0038	0.0079	0.0541
Onchocerca volvulus		0.0035	0.0054	0.0366
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.019	0.1467	0.1467
Echinococcus granulosus	thioredoxin glutathione reductase	0.0046	0.0155	0.0155
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0117	0.0804	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0181	0.1392	0.1392
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0096	0.061	0.061
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0181	0.1392	0.1392
Brugia malayi	beta-lactamase family protein	0.0035	0.0054	0.0054
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0038	0.0079	0.5
Brugia malayi	Carboxylesterase family protein	0.019	0.1467	0.1467
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.019	0.1467	0.1467
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0038	0.0079	0.2547
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0079	0.0182
Loa Loa (eye worm)	hypothetical protein	0.019	0.1467	0.1467
Trichomonas vaginalis	adenylate cyclase, putative	0.0038	0.0079	0.0182
Schistosoma mansoni	hypothetical protein	0.017	0.129	0.129
Brugia malayi	Carboxylesterase family protein	0.1122	1	1
Onchocerca volvulus		0.0035	0.0054	0.0366
Onchocerca volvulus		0.019	0.1467	1
Leishmania major	protein kinase, putative	0.0038	0.0079	0.2547
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0096	0.061	0.061
Mycobacterium tuberculosis	Probable dehydrogenase	0.0105	0.0697	0.2747
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.019	0.1467	0.1467
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.019	0.1467	1
Trichomonas vaginalis	guanylate cyclase, putative	0.0038	0.0079	0.0182
Brugia malayi	glutathione reductase	0.0046	0.0155	0.0155
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0225	0.1788	0.7411
Trichomonas vaginalis	adenylate and guanylate cyclases, putative	0.0038	0.0079	0.0182
Loa Loa (eye worm)	hypothetical protein	0.005	0.0192	0.0192
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0054
Mycobacterium tuberculosis	Carboxylesterase LipT	0.019	0.1467	0.6039
Echinococcus granulosus	aryl hydrocarbon receptor	0.0038	0.0079	0.0079
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0051	0.0195	0.0195
Echinococcus multilocularis	BC026374 protein (S09 family)	0.019	0.1467	0.1467
Plasmodium vivax	thioredoxin reductase, putative	0.0046	0.0155	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0117	0.0804	0.3207
Loa Loa (eye worm)	hypothetical protein	0.049	0.4218	0.4218
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0181	0.1392	0.1392
Mycobacterium tuberculosis	Probable oxidoreductase	0.0117	0.0804	0.3207
Brugia malayi	bHLH-PAS transcription factor	0.0108	0.0722	0.0722
Schistosoma mansoni	jumonji domain containing protein	0.0076	0.043	0.043
Schistosoma mansoni	single-minded	0.0146	0.1069	0.1069
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.019	0.1467	0.1467
Echinococcus granulosus	jumonji domain containing protein	0.0041	0.0105	0.0105
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0181	0.1392	0.1392
Trypanosoma cruzi	STE/STE11 serine/threonine-protein kinase, putative	0.0038	0.0079	0.2547
Loa Loa (eye worm)	hypothetical protein	0.019	0.1467	0.1467
Plasmodium falciparum	glutathione reductase	0.0046	0.0155	1
Trypanosoma cruzi	PAS-domain containing phosphoglycerate kinase, putative	0.0038	0.0079	0.2547
Brugia malayi	latrophilin 2 splice variant baaae	0.0035	0.0048	0.0048
Echinococcus multilocularis	aryl hydrocarbon receptor	0.0038	0.0079	0.0079
Echinococcus granulosus	para nitrobenzyl esterase	0.019	0.1467	0.1467
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0054	0.0054
Echinococcus granulosus	geminin	0.017	0.129	0.129
Brugia malayi	beta-lactamase family protein	0.0035	0.0054	0.0054
Onchocerca volvulus		0.019	0.1467	1
Echinococcus granulosus	BC026374 protein S09 family	0.019	0.1467	0.1467
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0079	0.0182
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0105	0.0697	0.2747
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0054	0.0054
Trypanosoma brucei	trypanothione reductase	0.0046	0.0155	1
Toxoplasma gondii	thioredoxin reductase	0.0046	0.0155	1
Brugia malayi	jmjC domain containing protein	0.0096	0.061	0.061
Plasmodium vivax	glutathione reductase, putative	0.0046	0.0155	1
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0105	0.0697	0.2747
Loa Loa (eye worm)	carboxylesterase	0.019	0.1467	0.1467
Loa Loa (eye worm)	hypothetical protein	0.1122	1	1
Echinococcus multilocularis	acetylcholinesterase	0.1122	1	1
Mycobacterium ulcerans	carboxylesterase, LipT	0.019	0.1467	0.556
Schistosoma mansoni	aryl hydrocarbon receptor	0.0146	0.1069	0.1069
Trypanosoma cruzi	trypanothione reductase, putative	0.0046	0.0155	1
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0046	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0054	0.0054
Onchocerca volvulus		0.019	0.1467	1
Trypanosoma cruzi	STE group serine/threonine-protein kinase, putative	0.0038	0.0079	0.2547
Mycobacterium leprae	Possible regulatory protein	0.0038	0.0079	0.0343
Trichomonas vaginalis	guanylate cyclase, putative	0.0038	0.0079	0.0182
Schistosoma mansoni	acetylcholinesterase	0.019	0.1467	0.1467
Mycobacterium ulcerans	putative regulatory protein	0.0108	0.0722	0.2628
Echinococcus granulosus	Aryl hydrocarbon receptor nuclear	0.0038	0.0079	0.0079
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0117	0.0804	0.3207
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0054	0.0054
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0056	0.0056
Echinococcus granulosus	acetylcholinesterase	0.1122	1	1
Schistosoma mansoni	neuroligin 3 (S09 family)	0.019	0.1467	0.1467
Mycobacterium tuberculosis	Probable reductase	0.0105	0.0697	0.2747
Brugia malayi	PAS domain containing protein	0.0146	0.1069	0.1069

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 817350