TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 383.416 | Formula: C21H22FN3O3
H donors: 1 H acceptors: 4 LogP: 2.41 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(CCCN1C(c2cccnc2)C(=C(C1=O)O)C(=O)c1ccc(cc1)F)C
InChi: 1S/C21H22FN3O3/c1-24(2)11-4-12-25-18(15-5-3-10-23-13-15)17(20(27)21(25)28)19(26)14-6-8-16(22)9-7-14/h3,5-10,13,18,27H,4,11-12H2,1-2H3
InChiKey: VTFMQBNHQNYZNO-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	0.0123	0.3383	0.3701
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0051	0.1072	0.552
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2389	0.2613
Loa Loa (eye worm)	hypothetical protein	0.0077	0.1923	0.2104
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0039	0.0711	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0361	0.0395
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0051	0.1072	0.552
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1366	0.5402
Schistosoma mansoni	tar DNA-binding protein	0.007	0.1681	0.1839
Echinococcus multilocularis	fetal alzheimer antigen, falz	0.0023	0.0176	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0821	0.0898
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0586	0.0586
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0039	0.0711	0.0711
Brugia malayi	Importin beta-1 subunit	0.0028	0.0361	0.0753
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.006	0.1366	0.1366
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.0997	0.1091
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0092	0.2389	0.7128
Schistosoma mansoni	ran	0.0021	0.0121	0.0132
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0077	0.1923	0.1923
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0039	0.0711	0.4737
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1923	1
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.006	0.1367	0.1367
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0121	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0759	0.0831
Loa Loa (eye worm)	MH2 domain-containing protein	0.012	0.3302	0.3613
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0711	1
Brugia malayi	RNA binding protein	0.007	0.1681	0.4905
Schistosoma mansoni	tar DNA-binding protein	0.007	0.1681	0.1839
Toxoplasma gondii	hypothetical protein	0.0027	0.0304	0.1016
Schistosoma mansoni	importin beta-1	0.0028	0.0361	0.0395
Schistosoma mansoni	hypothetical protein	0.0303	0.914	1
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0361	0.1329
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.006	0.1366	1
Loa Loa (eye worm)	bromodomain containing protein	0.0018	0.002	0.0021
Schistosoma mansoni	acetyl-CoA C-acetyltransferase	0.0023	0.0176	0.0193
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.2389	0.2389
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0586	0.0586
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.2389	0.2389
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0123	0.3383	0.3383
Wolbachia endosymbiont of Brugia malayi	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1923	1
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0039	0.0711	0.251
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.006	0.1366	0.1366
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0039	0.0711	0.0711
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0189	0.1153
Schistosoma mansoni	hypothetical protein	0.0021	0.0115	0.0126
Entamoeba histolytica	hypothetical protein	0.0023	0.0189	0.1153
Schistosoma mansoni	ap endonuclease	0.0039	0.0711	0.0777
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0361	0.0361
Echinococcus multilocularis	snurportin 1	0.0303	0.914	0.914
Brugia malayi	RNA recognition motif domain containing protein	0.007	0.1681	0.4905
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0361	0.4063
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0683	0.0748
Echinococcus multilocularis	tumor protein p63	0.033	1	1
Schistosoma mansoni	zinc finger protein	0.002	0.0081	0.0089
Entamoeba histolytica	hypothetical protein	0.0035	0.0586	0.7893
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0092	0.2389	0.2389
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0121	0.0132
Brugia malayi	Bromodomain containing protein	0.0038	0.0681	0.1761
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0303	0.914	1
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.006	0.1367	0.1367
Schistosoma mansoni	ap endonuclease	0.0039	0.0711	0.0777
Entamoeba histolytica	hypothetical protein	0.0035	0.0586	0.7893
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0092	0.2389	0.2389
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0711	0.3271
Brugia malayi	MH2 domain containing protein	0.012	0.3302	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0586	0.7893
Loa Loa (eye worm)	hypothetical protein	0.0071	0.1721	0.1883
Schistosoma mansoni	peptidase Clp (S14 family)	0.0077	0.1923	0.2104
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1923	0.5
Schistosoma mansoni	bromodomain containing protein	0.0063	0.1482	0.1622
Loa Loa (eye worm)	RNA binding protein	0.007	0.1681	0.1839
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1366	0.5402
Echinococcus granulosus	tar DNA binding protein	0.007	0.1681	0.1681
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0189	0.1153
Echinococcus multilocularis	bromodomain adjacent to zinc finger domain	0.0036	0.0605	0.0605
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.1923	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0123	0.3383	0.3383
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.006	0.1366	1
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1366	0.1494
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0077	0.1923	1
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0051	0.1072	0.1072
Echinococcus granulosus	peptidase Clp S14 family	0.0051	0.1072	0.1072
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0077	0.1923	0.1923
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0092	0.2389	0.2613
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0189	0.1153
Echinococcus granulosus	snurportin 1	0.0303	0.914	0.914
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0997	0.1091
Onchocerca volvulus		0.0048	0.0997	0.5
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.3698	0.4046
Loa Loa (eye worm)	transcription factor SMAD2	0.012	0.3302	0.3613
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0361	0.0361
Schistosoma mansoni	tar DNA-binding protein	0.007	0.1681	0.1839
Echinococcus multilocularis	zinc finger protein	0.002	0.0081	0.0081
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0586	0.0642
Brugia malayi	RNA, U transporter 1	0.0081	0.2034	0.6012
Echinococcus multilocularis	tar DNA binding protein	0.007	0.1681	0.1681
Echinococcus granulosus	bromodomain adjacent to zinc finger domain	0.0036	0.0605	0.0605
Toxoplasma gondii	aldehyde dehydrogenase	0.006	0.1366	0.6907
Loa Loa (eye worm)	TAR-binding protein	0.007	0.1681	0.1839
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0039	0.0711	1
Brugia malayi	Bromodomain containing protein	0.0075	0.1858	0.546
Brugia malayi	PHD-finger family protein	0.0025	0.0252	0.0411
Schistosoma mansoni	ran	0.0021	0.0121	0.0132
Brugia malayi	exodeoxyribonuclease III family protein	0.0039	0.0711	0.1853
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0189	0.0546
Brugia malayi	hypothetical protein	0.0035	0.0586	0.1463
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1923	1
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0039	0.0711	0.0777
Mycobacterium ulcerans	aldehyde dehydrogenase	0.006	0.1366	0.5402
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0077	0.1923	1
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0027	0.0304	0.1016
Schistosoma mansoni	tar DNA-binding protein	0.007	0.1681	0.1839
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0039	0.0711	1
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0121	0.0121
Toxoplasma gondii	exonuclease III APE	0.0039	0.0711	0.3271
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0361	0.1329
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.007	0.1681	0.1839
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0189	0.1153
Plasmodium falciparum	importin beta, putative	0.0028	0.0361	0.1329
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0039	0.0711	0.3271
Schistosoma mansoni	thyroid hormone receptor	0.0133	0.3698	0.4046
Echinococcus granulosus	zinc finger protein	0.002	0.0081	0.0081
Chlamydia trachomatis	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1923	0.5
Schistosoma mansoni	aldehyde dehydrogenase	0.006	0.1366	0.1494
Schistosoma mansoni	hypothetical protein	0.0035	0.0586	0.0642
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1923	1
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0027	0.0304	0.1016
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0051	0.1072	0.4744
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0077	0.1923	1
Brugia malayi	TAR-binding protein	0.007	0.1681	0.4905
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0133	0.3698	0.3698
Echinococcus granulosus	fetal alzheimer antigen falz	0.0023	0.0176	0.0176
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0039	0.0711	1
Brugia malayi	Probable ClpP-like protease	0.0077	0.1923	0.5666
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0361	0.4063
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2389	0.2613
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0077	0.1923	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0586	0.7893
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0092	0.2389	0.2613
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0711	1
Loa Loa (eye worm)	PHD-finger family protein	0.0021	0.0115	0.0126
Schistosoma mansoni	tar DNA-binding protein	0.007	0.1681	0.1839
Trichomonas vaginalis	ap endonuclease, putative	0.0039	0.0711	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 769973