TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 428.501 | Formula: C26H25FN4O
H donors: 2 H acceptors: 2 LogP: 4.08 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: NC(=O)C1CCN(CC1)Cc1ccc(cc1)c1ccc(cc1)c1nc2c([nH]1)ccc(c2)F
InChi: 1S/C26H25FN4O/c27-22-9-10-23-24(15-22)30-26(29-23)21-7-5-19(6-8-21)18-3-1-17(2-4-18)16-31-13-11-20(12-14-31)25(28)32/h1-10,15,20H,11-14,16H2,(H2,28,32)(H,29,30)
InChiKey: KSQAKWFMYBOYIH-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
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0815	0.9675	0.9673
Schistosoma mansoni	hypothetical protein	0.0365	0.4175	0.4144
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0571	0.0521
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0032	0.011
Brugia malayi	jmjC domain containing protein	0.0035	0.0126	0.0074
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0571	0.0521
Echinococcus granulosus	GPCR family 2	0.0063	0.0479	0.043
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0538	0.0489
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.2879	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0036	0.0141	0.0025
Leishmania major	hypothetical protein, conserved	0.0049	0.0305	0.0492
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0132	0.046
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1786	0.6206
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.0571	0.1983
Brugia malayi	Latrophilin receptor protein 2	0.0063	0.0479	0.043
Trichomonas vaginalis	penicillin-binding protein, putative	0.0071	0.0571	0.1983
Schistosoma mansoni	hypothetical protein	0.0063	0.0479	0.043
Echinococcus granulosus	beta LACTamase domain containing family member	0.0071	0.0571	0.0521
Loa Loa (eye worm)	phosphatidylinositol 3	0.0045	0.0254	0.0202
Echinococcus granulosus	jumonji domain containing protein	0.004	0.0189	0.0138
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0141	0.0489
Schistosoma mansoni	hypothetical protein	0.0365	0.4175	0.4144
Entamoeba histolytica	hypothetical protein	0.0035	0.0134	0.0132
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0094	0.0848	0.08
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.0571	0.1983
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0112	0.039
Entamoeba histolytica	hypothetical protein	0.0035	0.0134	0.0132
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.2879	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0038	0.0173	0.0601
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0538	0.0489
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0112	0.039
Entamoeba histolytica	hypothetical protein	0.0035	0.0134	0.0132
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0171	0.0594
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.0571	0.1983
Loa Loa (eye worm)	ICD-1 protein	0.0035	0.0132	0.0081
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0045	0.0254	1
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.0612	0.0563
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.2879	1
Leishmania major	hypothetical protein, conserved	0.0071	0.0571	0.125
Brugia malayi	latrophilin 2 splice variant baaae	0.0137	0.1381	0.1336
Onchocerca volvulus		0.0434	0.5016	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0425	0.0374
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0305	0.0492
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1786	0.6206
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0126	0.0074
Brugia malayi	Dihydrofolate reductase	0.0841	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0029	0.006	0.0209
Echinococcus multilocularis	lysine specific demethylase 5A	0.0035	0.0126	0.0074
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0063	0.0479	0.043
Loa Loa (eye worm)	hypothetical protein	0.003	0.007	0.0018
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0033	0.0112	0.0168
Plasmodium vivax	ataxin-2 like protein, putative	0.0049	0.0305	0.0705
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0045	0.0254	0.0345
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0094	0.0848	0.08
Loa Loa (eye worm)	hypothetical protein	0.0063	0.0479	0.043
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0322	0.364	1
Brugia malayi	beta-lactamase family protein	0.0071	0.0571	0.0521
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0201	0.2158	0.2117
Loa Loa (eye worm)	hypothetical protein	0.0434	0.5016	0.499
Schistosoma mansoni	dihydrofolate reductase	0.0841	1	1
Brugia malayi	hypothetical protein	0.0049	0.0305	0.0254
Entamoeba histolytica	hypothetical protein	0.0035	0.0134	0.0132
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.0571	0.0521
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0141	0.0489
Onchocerca volvulus		0.0071	0.0571	0.1045
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0305	0.0705
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0254	0.0881
Brugia malayi	MH2 domain containing protein	0.0118	0.1145	0.1099
Echinococcus multilocularis	Protein lozenge	0.0054	0.0369	0.0318
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0841	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0112	0.039
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0538	0.187
Brugia malayi	Heterochromatin protein 1	0.0068	0.0538	0.0489
Schistosoma mansoni	lozenge	0.0054	0.0369	0.0318
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0841	1	1
Loa Loa (eye worm)	jmjC domain-containing protein	0.0035	0.0126	0.0074
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0045	0.0254	0.0202
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0322	0.364	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0032	0.011
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0034	0.0118
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0045	0.0254	0.0345
Schistosoma mansoni	hypothetical protein	0.0063	0.0479	0.043
Schistosoma mansoni	hypothetical protein	0.0035	0.0134	0.0082
Echinococcus granulosus	chromobox protein 1	0.0068	0.0538	0.0489
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0141	0.0489
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0063	0.0479	0.043
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0071	0.0571	0.0521
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0112	0.039
Onchocerca volvulus		0.0071	0.0571	0.1045
Echinococcus multilocularis	dihydrofolate reductase	0.0841	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0045	0.0254	0.0202
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0071	0.0571	0.0521
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0132	0.046
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0322	0.364	1
Brugia malayi	beta-NAC-like protein	0.0035	0.0132	0.0081
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.1899	0.6596
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0206	0.0311
Brugia malayi	hypothetical protein	0.0434	0.5016	0.499
Brugia malayi	hypothetical protein	0.0032	0.0091	0.004
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0063	0.0479	0.043
Onchocerca volvulus		0.003	0.007	0.0035
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.2879	1
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0322	0.364	1
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0206	0.0717
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.1145	0.1099
Echinococcus multilocularis	transcription factor btf3	0.0035	0.0132	0.0081
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.0072	0.025
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0028	0.0099
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1786	0.6206
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1786	0.6206
Trichomonas vaginalis	D-aminoacylase, putative	0.0071	0.0571	0.1983
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0141	0.0489
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0112	0.039
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0453	0.5251	0.4963
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0206	0.0717
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0112	0.039
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0259	0.2879	0.2841
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0036	0.0141	0.0025
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0538	0.0489
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0045	0.0254	0.0345
Brugia malayi	jmjC domain containing protein	0.0094	0.0848	0.08
Toxoplasma gondii	ABC1 family protein	0.0071	0.0571	0.1446
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0254	0.0881
Brugia malayi	hypothetical protein	0.0035	0.0134	0.0082
Trichomonas vaginalis	esterase, putative	0.0071	0.0571	0.1983
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0201	0.2158	0.2117
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0302	0.0251
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0322	0.364	1
Schistosoma mansoni	transcription factor btf3	0.0035	0.0132	0.0081
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0259	0.2879	0.2841
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0571	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0171	0.0119
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0571	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0571	0.0521
Chlamydia trachomatis	dihydrofolate reductase	0.0841	1	0.5
Plasmodium falciparum	basic transcription factor 3b, putative	0.0035	0.0132	0.0224
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0171	0.0594
Echinococcus multilocularis	jumonji domain containing protein	0.004	0.0189	0.0138
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0134	0.0082
Echinococcus granulosus	dihydrofolate reductase	0.0841	1	1
Toxoplasma gondii	NAC domain-containing protein	0.0035	0.0132	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0434	0.5016	0.499
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0045	0.0254	0.0881
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1786	0.6206
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0063	0.0479	0.043
Giardia lamblia	GTOR	0.0045	0.0254	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0033	0.0112	0.039
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0322	0.364	1
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0134	0.0082
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0538	0.187
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0071	0.0571	0.0521
Echinococcus granulosus	chromobox protein 1	0.0068	0.0538	0.0489
Loa Loa (eye worm)	hypothetical protein	0.0137	0.1381	0.1336
Trichomonas vaginalis	conserved hypothetical protein	0.0035	0.0132	0.046
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0045	0.0254	0.0202
Onchocerca volvulus	Glucosylceramidase homolog	0.017	0.1786	0.3494
Trichomonas vaginalis	glucosylceramidase, putative	0.0179	0.1899	0.6596
Trypanosoma brucei	PAB1-binding protein , putative	0.0049	0.0305	0.0492
Plasmodium vivax	hypothetical protein, conserved	0.0071	0.0571	0.1446
Brugia malayi	chromobox protein homolog 3	0.0038	0.0171	0.0119
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0071	0.0571	0.0521
Brugia malayi	beta-lactamase family protein	0.0071	0.0571	0.0521
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0305	0.0254
Brugia malayi	hypothetical protein	0.0295	0.3309	0.3274
Schistosoma mansoni	hypothetical protein	0.0063	0.0479	0.043
Brugia malayi	beta-lactamase	0.0071	0.0571	0.0521
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1786	0.6206
Loa Loa (eye worm)	hypothetical protein	0.0201	0.2158	0.2117
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0036	0.0141	0.0489
Plasmodium falciparum	ataxin-2 like protein, putative	0.0049	0.0305	0.0705
Echinococcus granulosus	transcription factor btf3	0.0035	0.0132	0.0081
Schistosoma mansoni	chromobox protein	0.0068	0.0538	0.0489
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0034	0.0118
Trichomonas vaginalis	glucosylceramidase, putative	0.017	0.1786	0.6206
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0063	0.0479	0.043
Schistosoma mansoni	chromobox protein	0.0068	0.0538	0.0489
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0045	0.0254	0.0345
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0063	0.0479	0.043
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0045	0.0254	0.0202
Trypanosoma brucei	hypothetical protein, conserved	0.0071	0.0571	0.125
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0171	0.0239
Loa Loa (eye worm)	dihydrofolate reductase	0.0841	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0028	0.0099
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0045	0.0254	0.0345
Onchocerca volvulus		0.0295	0.3309	0.6562
Schistosoma mansoni	hypothetical protein	0.0063	0.0479	0.043
Onchocerca volvulus		0.0071	0.0571	0.1045
Loa Loa (eye worm)	hypothetical protein	0.0295	0.3309	0.3274
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0134	0.0082
Loa Loa (eye worm)	hypothetical protein	0.0071	0.0571	0.0521
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0027	0.0032	0.011
Trypanosoma cruzi	PAB1-binding protein , putative	0.0049	0.0305	0.0492
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.2879	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0201	0.2158	0.2117
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.0571	0.125
Toxoplasma gondii	LsmAD domain-containing protein	0.0049	0.0305	0.0705
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0841	1	1
Schistosoma mansoni	hypothetical protein	0.0137	0.1381	0.1336
Plasmodium vivax	basic transcription factor 3b, putative	0.0035	0.0132	0.0224
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0045	0.0254	0.0345
Trypanosoma cruzi	target of rapamycin kinase 3	0.0036	0.0141	0.0025
Trichomonas vaginalis	glucosylceramidase, putative	0.0259	0.2879	1
Loa Loa (eye worm)	runx1	0.0054	0.0369	0.0318
Echinococcus granulosus	geminin	0.0365	0.4175	0.4144
Echinococcus multilocularis	geminin	0.0365	0.4175	0.4144
Echinococcus multilocularis	GPCR, family 2	0.0063	0.0479	0.043
Loa Loa (eye worm)	beta-lactamase	0.0071	0.0571	0.0521
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.1145	0.1099
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0035	0.0126	0.0074
Trypanosoma cruzi	hypothetical protein, conserved	0.0071	0.0571	0.125
Echinococcus granulosus	lysine specific demethylase 5A	0.0035	0.0126	0.0074
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0045	0.0254	1

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: CHEMBL533192

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 1025322