TDR Targets

Basic information

Technical information

TDR Targets ID: 334601
Name: 2-[7-[[amino-(methoxyamino)methylidene]amino] -9H-fluoren-2-yl]-1-methoxyguanidine
MW: 340.38 | Formula: C17H20N6O2
H donors: 4 H acceptors: 0 LogP: 1.83 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CONC(=N)Nc1ccc2c(c1)Cc1c2ccc(c1)NC(=N)NOC
InChi: 1S/C17H20N6O2/c1-24-22-16(18)20-12-3-5-14-10(8-12)7-11-9-13(4-6-15(11)14)21-17(19)23-25-2/h3-6,8-9H,7H2,1-2H3,(H3,18,20,22)(H3,19,21,23)
InChiKey: PCPQAWXXXAHYKI-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

2-[7-[[amino-(methoxyamino)methylene]amino]-9H-fluoren-2-yl]-1-methoxy-guanidine
2-[7-[[amino-(methoxyamino)methylene]amino]-9H-fluoren-2-yl]-1-methoxyguanidine
2-[7-[[azanyl-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxy-guanidine
2-[7-[[amino-(methoxyamino)methylidene]amino]-9H-fluoren-2-yl]-1-methoxy-guanidine

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	conserved hypothetical protein	0.0111398	1	1
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0008	0.0529	0.0651
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Giardia lamblia	NADPH oxidoreductase, putative	0.0082	1	0.5
Schistosoma mansoni	cpg binding protein	0.0032	0.3579	0.4403
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0441	0.0427
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0441	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0441	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0441	0.0427
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0032	0.3579	1
Entamoeba histolytica	modulator of drug activity B homolog, putative	0.0021	0.2139	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0441	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Giardia lamblia	NADPH oxidoreductase, putative	0.0111398	1	0.5
Echinococcus multilocularis	cpg binding protein	0.0034	0.381	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Onchocerca volvulus		0.0032	0.3579	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0441	0.0427
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0441	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0441	0.0427
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.001	0.0777	0.0754
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Entamoeba histolytica	iron-sulfur flavoprotein, putative	0.0021	0.2139	1
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0441	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0441	0.0427
Trichomonas vaginalis	helicase, putative	0.0007	0.0441	0.0427
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0441	0.0427
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0111398	1	1
Giardia lamblia	NADPH oxidoreductase, putative	0.0082	1	0.5
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.2139	0.2128
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.001	0.0777	0.0754
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0441	0.0427
Entamoeba histolytica	hypothetical protein	0.0021	0.2139	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0111398	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.2139	0.2128
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.7209	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Echinococcus granulosus	cpg binding protein	0.0034	0.381	1
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0062	0.7382	0.7378
Trichomonas vaginalis	conserved hypothetical protein	0.0007	0.0441	0.0427
Schistosoma mansoni	cpg binding protein	0.0034	0.381	0.4688
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0005	0.0103	0.0127
Giardia lamblia	NADPH oxidoreductase, putative	0.0111398	1	0.5
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0441	0.0427
Brugia malayi	CXXC zinc finger family protein	0.0032	0.3579	1
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0021	0.2139	0.2128
Plasmodium falciparum	zinc finger protein, putative	0.0004	0	0.5
Trichomonas vaginalis	FMN-dependent NADH-azoreductase, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.2139	0.2128
Trichomonas vaginalis	conserved hypothetical protein	0.0111398	1	1
Schistosoma mansoni	cpg binding protein	0.0034	0.381	0.4688
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0068	0.8128	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	chromodomain-helicase-DNA-binding protein, putative	0.0007	0.0441	0.0427
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0441	0.0427
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Giardia lamblia	NADPH oxidoreductase, putative	0.0111398	1	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0021	0.2139	0.2128
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0111398	1	1
Trichomonas vaginalis	chromodomain helicase DNA binding protein, putative	0.0007	0.0441	0.0427
Trichomonas vaginalis	conserved hypothetical protein	0.0082	1	1
Trichomonas vaginalis	modulator of drug activity B, putative	0.0021	0.2139	0.2128
Trichomonas vaginalis	NAD(P)H dehydrogenase, putative	0.0082	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Cures (functional)	= 0	In vivo antitrypanosomal activity of the compound (100 mg/kg for 4 days, i.p.) measured as cured mice infected with Trypanosoma brucei rhodesiense strain STIB900; 0 cured out of 4	ChEMBL.	16107146
IC50 (functional)	= 3000 nM	In vitro antiprotozoal activity of the compound against Plasmodium falciparum strain K1	ChEMBL.	16107146
IC50 (functional)	= 3000 nM	In vitro antiprotozoal activity of the compound against Plasmodium falciparum strain K1	ChEMBL.	16107146
IC50 (functional)	= 47500 nM	In vitro antiprotozoal activity of the compound against Trypanosoma brucei rhodesiense strain STIB900	ChEMBL.	16107146
IC50 (functional)	= 47500 nM	In vitro antiprotozoal activity of the compound against Trypanosoma brucei rhodesiense strain STIB900	ChEMBL.	16107146
Survival (functional)	= 8 day	In vivo antitrypanosomal activity of the compound (100 mg/kg for 4 days, i.p.) measured as survival days of mice infected with Trypanosoma brucei rhodesiense strain STIB900	ChEMBL.	16107146
Survival (functional)	= 8 day	In vivo antitrypanosomal activity of the compound (100 mg/kg for 4 days, i.p.) measured as survival days of mice infected with Trypanosoma brucei rhodesiense strain STIB900	ChEMBL.	16107146
TD50 (functional)	= 136.7 uM	In vitro cytotoxicity of the compound evaluated using cultured L6 rat myoblast cells	ChEMBL.	16107146

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum		16107146

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: CHEMBL192722
PubChem: 11244715

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 334601