TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 451.536 | Formula: C25H30FN5O2
H donors: 1 H acceptors: 3 LogP: 2.61 Rotable bonds: 10
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc(cc1)CN1CCc2n(CC1)c(nn2)CCNC(=O)Cc1ccc(cc1)F
InChi: 1S/C25H30FN5O2/c1-2-33-22-9-5-20(6-10-22)18-30-14-12-24-29-28-23(31(24)16-15-30)11-13-27-25(32)17-19-3-7-21(26)8-4-19/h3-10H,2,11-18H2,1H3,(H,27,32)
InChiKey: MWRYSFJQEQRMAS-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
Schistosoma mansoni	hypothetical protein	0.0041	0.0069	0.0069
Brugia malayi	hypothetical protein	0.0041	0.0069	0.0269
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.0146	0.0573
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0107	0.0711
Plasmodium falciparum	transporter, putative	0.0046	0.0098	0.5
Echinococcus granulosus	tar DNA binding protein	0.0067	0.021	0.0826
Schistosoma mansoni	hypothetical protein	0.0038	0.005	0.005
Echinococcus granulosus	sodium and chloride dependent glycine	0.0238	0.1171	0.4595
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0046	0.0098	0.0383
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Trypanosoma brucei	ribonuclease H1	0.0485	0.2548	0.2497
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0107	0.0107
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0298	0.1505	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.0146	0.097
Entamoeba histolytica	hypothetical protein	0.0038	0.005	0.5
Echinococcus multilocularis	RNA directed DNA polymerase	0.0041	0.0069	0.0162
Echinococcus multilocularis	telomerase reverse transcriptase subunit	0.0041	0.0069	0.0162
Schistosoma mansoni	scy1(yeast) protein kinase-like	0.0041	0.0069	0.0069
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.021	0.021
Entamoeba histolytica	hypothetical protein	0.0038	0.005	0.5
Toxoplasma gondii	ribonuclease HI protein	0.0485	0.2548	1
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0046	0.0098	0.5
Onchocerca volvulus		0.0229	0.1121	0.44
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0107	0.0107
Plasmodium falciparum	amino acid transporter, putative	0.0046	0.0098	0.5
Brugia malayi	hypothetical protein	0.0041	0.0069	0.0269
Schistosoma mansoni	hypothetical protein	0.0038	0.0049	0.0049
Trichomonas vaginalis	set domain proteins, putative	0.0229	0.1121	0.4245
Trypanosoma cruzi	ribonuclease H1, putative	0.0485	0.2548	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0041	0.0069	0.0162
Schistosoma mansoni	protein kinase	0.0041	0.0069	0.0069
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0046	0.0098	0.0098
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.005	0.005
Brugia malayi	RNase H family protein	0.0485	0.2548	1
Brugia malayi	RNA binding protein	0.0067	0.021	0.0826
Mycobacterium tuberculosis	Possible maturase	0.0041	0.0069	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0526	0.2778	0.2728
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0041	0.0069	0.0162
Plasmodium vivax	amine transporter, putative	0.0046	0.0098	1
Giardia lamblia	Ribonuclease H	0.0485	0.2548	1
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0046	0.0098	0.0231
Brugia malayi	hypothetical protein	0.0041	0.0069	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0098	0.0649
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0041	0.0069	0.0162
Brugia malayi	reverse transcriptase	0.0041	0.0069	0.0269
Schistosoma mansoni	hypothetical protein	0.0041	0.0069	0.0069
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0046	0.0098	0.0098
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0046	0.0098	0.0383
Echinococcus granulosus	ribonuclease H1	0.0485	0.2548	1
Loa Loa (eye worm)	serotonin transporter b	0.0046	0.0098	0.0649
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0046	0.0098	0.0383
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0046	0.0098	0.0383
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Toxoplasma gondii	hypothetical protein	0.0046	0.0098	0.0383
Brugia malayi	Zinc knuckle family protein	0.0041	0.0069	0.0269
Brugia malayi	hypothetical protein	0.0046	0.0098	0.0383
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0046	0.0098	0.0098
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0041	0.0069	0.0162
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.021	0.021
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.0146	0.0573
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0046	0.0098	0.0649
Schistosoma mansoni	sodium/chloride dependent transporter	0.0238	0.1171	0.1171
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0041	0.0069	0.0269
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0046	0.0098	0.0649
Leishmania major	ribonuclease H1, putative	0.0485	0.2548	0.5
Brugia malayi	TAR-binding protein	0.0067	0.021	0.0826
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0041	0.0069	0.0162
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.021	0.021
Onchocerca volvulus	Telomerase reverse transcriptase homolog	0.0041	0.0069	0.0269
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0041	0.0069	0.0162
Echinococcus multilocularis	ribonuclease H1	0.0485	0.2548	0.6025
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0238	0.1171	0.7779
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0107	0.0107
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0046	0.0098	0.0231
Brugia malayi	Pre-SET motif family protein	0.0202	0.0965	0.3789
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.005	0.0117
Schistosoma mansoni	phosphoglucomutase	0.0485	0.2548	0.2548
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0046	0.0098	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0098	0.0649
Onchocerca volvulus	Ribonuclease H1 homolog	0.0485	0.2548	1
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0046	0.0098	0.0383
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0098	0.0649
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0046	0.0098	0.0383
Brugia malayi	reverse transcriptase	0.0041	0.0069	0.0269
Echinococcus granulosus	snurportin 1	0.0298	0.1505	0.5907
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0046	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0098	0.0649
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0046	0.0098	0.0231
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0041	0.0069	0.0162
Entamoeba histolytica	hypothetical protein	0.0038	0.005	0.5
Onchocerca volvulus		0.0046	0.0098	0.0383
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.0965	0.6413
Schistosoma mansoni	sodium/chloride dependent transporter	0.0238	0.1171	0.1171
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0785	0.423	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0107	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0098	0.0649
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0098	0.0649
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0046	0.0098	0.0383
Brugia malayi	hypothetical protein	0.0038	0.005	0.0195
Schistosoma mansoni	sodium/chloride dependent transporter	0.0046	0.0098	0.0098
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Onchocerca volvulus		0.0041	0.0069	0.0269
Brugia malayi	hypothetical protein	0.0041	0.0069	0.0269
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0046	0.0098	0.0383
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0107	0.0253
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0098	0.0649
Plasmodium vivax	hypothetical protein, conserved	0.0046	0.0098	1
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Trichomonas vaginalis	ribonuclease H1, putative	0.0485	0.2548	1
Trypanosoma brucei	ingi protein (ORF1)	0.0526	0.2778	0.2728
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Onchocerca volvulus		0.0041	0.0069	0.0269
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.021	0.1398
Toxoplasma gondii	hypothetical protein	0.0046	0.0098	0.0383
Schistosoma mansoni	phosphoglucomutase	0.0485	0.2548	0.2548
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0107	0.042
Trypanosoma brucei	unspecified product	0.0526	0.2778	0.2728
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0238	0.1171	0.4595
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0238	0.1171	0.2768
Brugia malayi	RNA, U transporter 1	0.0079	0.0282	0.1108
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0046	0.0098	0.0098
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0041	0.0069	0.0162
Trypanosoma brucei	ingi protein (ORF1)	0.0526	0.2778	0.2728
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0238	0.1171	0.2768
Brugia malayi	reverse transcriptase	0.0041	0.0069	0.0269
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.021	0.0826
Brugia malayi	RNase H family protein	0.0485	0.2548	1
Onchocerca volvulus		0.0046	0.0098	0.0383
Echinococcus granulosus	sodium and chloride dependent glycine	0.0238	0.1171	0.4595
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0485	0.2548	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0041	0.0069	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0049	0.0323
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0098	0.0649
Brugia malayi	RNase H family protein	0.0485	0.2548	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0046	0.0098	0.0098
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0146	0.097
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.021	0.0498
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0046	0.0098	0.0098
Treponema pallidum	ribonuclease H (rnhA)	0.0485	0.2548	1
Echinococcus multilocularis	RNA directed DNA polymerase (reverse transcriptase)	0.0041	0.0069	0.0162
Echinococcus granulosus	KRAB A domain containing protein	0.0041	0.0069	0.0269
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0041	0.0069	0.0269
Onchocerca volvulus		0.0046	0.0098	0.0383
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.005	0.0195
Echinococcus granulosus	RNA directed DNA polymerase	0.0041	0.0069	0.0269
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0046	0.0098	0.0098
Brugia malayi	Pao retrotransposon peptidase family protein	0.0041	0.0069	0.0269
Schistosoma mansoni	phosphoglucomutase	0.0485	0.2548	0.2548
Schistosoma mansoni	hypothetical protein	0.0298	0.1505	0.1505
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0046	0.0098	0.0383
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0049	0.0191
Trypanosoma cruzi	ribonuclease H1, putative	0.0485	0.2548	1
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1171	0.7779
Entamoeba histolytica	hypothetical protein	0.0038	0.005	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0107	0.042
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0041	0.0069	0.0269
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.021	0.021
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.021	0.1398
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0046	0.0098	0.0098
Echinococcus multilocularis	serotonin transporter	0.0046	0.0098	0.0231
Trypanosoma brucei	RNA helicase, putative	0.1817	1	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0107	0.042
Echinococcus granulosus	serotonin transporter	0.0046	0.0098	0.0383
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0046	0.0098	0.0098
Echinococcus granulosus	RNA directed DNA polymerase reverse transcriptase	0.0041	0.0069	0.0269
Brugia malayi	Zinc knuckle family protein	0.0041	0.0069	0.0269
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.021	0.021
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0526	0.2778	0.2728
Loa Loa (eye worm)	norepinephrine transporter	0.0046	0.0098	0.0649
Loa Loa (eye worm)	RNA binding protein	0.0067	0.021	0.1398
Loa Loa (eye worm)	hypothetical protein	0.0238	0.1171	0.7779
Onchocerca volvulus		0.0046	0.0098	0.0383
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0046	0.0098	0.0383
Echinococcus multilocularis	snurportin 1	0.0298	0.1505	0.3559

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 810012