TDR Targets

Basic information

Technical information

TDR Targets ID: 109590
Name: 7-amino-1,3-dihydroxy-10-methyl-6-(4-methylpi perazin-1-yl)acridin-9-one
MW: 354.403 | Formula: C19H22N4O3
H donors: 3 H acceptors: 3 LogP: 2.21 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)c1cc2n(C)c3cc(O)cc(c3c(=O)c2cc1N)O
InChi: 1S/C19H22N4O3/c1-21-3-5-23(6-4-21)15-10-14-12(9-13(15)20)19(26)18-16(22(14)2)7-11(24)8-17(18)25/h7-10,24-25H,3-6,20H2,1-2H3
InChiKey: SHKYUUQFWWIRID-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

7-amino-1,3-dihydroxy-10-methyl-6-(4-methyl-1-piperazinyl)-9-acridinone
7-azanyl-1,3-dihydroxy-10-methyl-6-(4-methylpiperazin-1-yl)acridin-9-one
7-amino-1,3-dihydroxy-10-methyl-6-(4-methylpiperazino)acridin-9-one

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
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0011	0.001
Echinococcus granulosus	dihydrofolate reductase	0.078	0.1476	0.1476
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0032	0.0011	0.001
Brugia malayi	Nuclear hormone receptor-like 1	0.0032	0.0011	0.001
Echinococcus multilocularis	thymidylate synthase	0.0112	0.0168	0.0167
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0032	0.0011	0.001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0032	0.0011	0.0011
Echinococcus multilocularis	sodium bile acid cotransporter	0.5129	1	1
Onchocerca volvulus		0.5129	1	1
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0045	0.0045
Echinococcus granulosus	FTZ F1 alpha	0.0032	0.0011	0.001
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0438	0.0807	0.5
Loa Loa (eye worm)	hypothetical protein	0.5129	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0011	0.001
Loa Loa (eye worm)	steroid hormone receptor	0.0032	0.0011	0.0011
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0032	0.0011	0.0011
Schistosoma mansoni	coup transcription factor	0.0032	0.0011	0.001
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0011	0.0011
Echinococcus granulosus	sodium bile acid cotransporter	0.5129	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0032	0.0011	0.0011
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0032	0.0011	0.001
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0032	0.0011	0.001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0032	0.0011	0.0011
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0127	0.0197	0.0196
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.0259	0.0259
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0032	0.0011	0.001
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0011	0.0011
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0438	0.0807	0.5
Loa Loa (eye worm)	dihydrofolate reductase	0.078	0.1476	0.1476
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0011	0.0011
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0032	0.0011	0.001
Schistosoma mansoni	RAR-like nuclear receptor	0.0032	0.0011	0.001
Echinococcus granulosus	geminin	0.0171	0.0282	0.0281
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0011	0.0011
Echinococcus multilocularis	sodium bile acid cotransporter	0.5129	1	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0253	0.0444	0.0444
Brugia malayi	Dihydrofolate reductase	0.078	0.1476	0.1476
Echinococcus multilocularis	sodium bile acid cotransporter	0.5129	1	1
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0045	0.0044
Echinococcus multilocularis	FTZ F1 alpha	0.0032	0.0011	0.001
Onchocerca volvulus	Bile acid receptor homolog	0.0032	0.0011	0.001
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0032	0.0011	0.001
Schistosoma mansoni	sodium-bile acid cotransporter	0.305	0.5924	0.5924
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0032	0.0011	0.001
Brugia malayi	dihydrofolate reductase family protein	0.078	0.1476	0.1476
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0032	0.0011	0.001
Echinococcus multilocularis	tumor protein p63	0.0337	0.0609	0.0608
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0032	0.0011	0.001
Brugia malayi	small heat shock protein	0.0631	0.1185	0.1184
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.078	0.1476	1
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0001	0.0001
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0127	0.0197	0.0196
Brugia malayi	Steroid receptor seven-up type 2	0.0032	0.0011	0.001
Schistosoma mansoni	thyroid hormone receptor	0.0159	0.0259	0.0259
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0032	0.0011	0.0011
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0032	0.0011	0.001
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0032	0.0011	0.001
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0011	0.001
Loa Loa (eye worm)	thymidylate synthase	0.0112	0.0168	0.0168
Schistosoma mansoni	hypothetical protein	0.0171	0.0282	0.0281
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0159	0.0259	0.0259
Schistosoma mansoni	sodium-bile acid cotransporter related	0.5129	1	1
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0438	0.0807	1
Echinococcus granulosus	thymidylate synthase	0.0112	0.0168	0.0167
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0032	0.0011	0.001
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0032	0.0011	0.001
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0032	0.0011	0.001
Echinococcus multilocularis	ecdysone induced protein 78C	0.0032	0.0011	0.001
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.078	0.1476	1
Brugia malayi	follicle stimulating hormone receptor	0.0253	0.0444	0.0443
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0032	0.0011	0.001
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0032	0.0011	0.001
Brugia malayi	photoreceptor-specific nuclear receptor	0.0032	0.0011	0.001
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0032	0.0011	0.001
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0011	0.0011
Brugia malayi	hypothetical protein	0.0053	0.0053	0.0052
Schistosoma mansoni	dihydrofolate reductase	0.078	0.1476	0.1476
Brugia malayi	nuclear hormone receptor	0.0032	0.0011	0.001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0032	0.0011	0.0011
Schistosoma mansoni	sodium-bile acid cotransporter related	0.208	0.4024	0.4024
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0032	0.0011	0.001
Echinococcus granulosus	ecdysone induced protein 78C	0.0032	0.0011	0.001
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0032	0.0011	0.001
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0011	0.0011
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0011	0.001
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0027	0.0001	0.0001
Schistosoma mansoni	retinoic acid receptor RXR	0.0032	0.0011	0.001
Brugia malayi	steroid hormone receptor	0.0032	0.0011	0.001
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0438	0.0807	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0032	0.0011	0.001
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0032	0.0011	0.001
Echinococcus granulosus	tumor protein p63	0.0337	0.0609	0.0608
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0011	0.0011
Onchocerca volvulus		0.0112	0.0168	0.0167
Chlamydia trachomatis	dihydrofolate reductase	0.078	0.1476	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0032	0.0011	0.0011
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0032	0.0011	0.001
Loa Loa (eye worm)	intermediate filament protein	0.0027	0.0001	0.0001
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0438	0.0807	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0032	0.0011	0.001
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0438	0.0807	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0032	0.0011	0.001
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0011	0.001
Brugia malayi	ecdysteroid receptor	0.0032	0.0011	0.001
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0032	0.0011	0.001
Loa Loa (eye worm)	hypothetical protein	0.0631	0.1185	0.1185
Echinococcus granulosus	sodium bile acid cotransporter	0.5129	1	1
Onchocerca volvulus		0.0032	0.0011	0.001
Onchocerca volvulus	Protein ultraspiracle homolog	0.0032	0.0011	0.001
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0032	0.0011	0.001
Trichomonas vaginalis	conserved hypothetical protein	0.0053	0.0053	0.5
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0032	0.0011	0.001
Brugia malayi	nuclear receptor NHR-88	0.0032	0.0011	0.001
Onchocerca volvulus		0.0049	0.0045	0.0044
Schistosoma mansoni	bifunctional dihydrofolate reductase-thymidylate synthase	0.0112	0.0168	0.0167
Brugia malayi	thymidylate synthase	0.0112	0.0168	0.0167
Echinococcus multilocularis	dihydrofolate reductase	0.078	0.1476	0.1476
Echinococcus multilocularis	geminin	0.0171	0.0282	0.0281
Mycobacterium tuberculosis	Probable thymidylate synthase ThyA (ts) (TSASE)	0.0112	0.0168	0.0809
Echinococcus granulosus	sodium bile acid cotransporter	0.5129	1	1
Schistosoma mansoni	hypothetical protein	0.0127	0.0197	0.0196
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0032	0.0011	0.001
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0032	0.0011	0.001
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0011	0.0011
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.078	0.1476	1
Schistosoma mansoni	hypothetical protein	0.0171	0.0282	0.0281

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 7.2 uM	Cytotoxic activity against Murine Lymphocytic Leukemia P388 Concentration of agent required to reduce cell viability by 50%	ChEMBL.	10377219
IC50 (functional)	= 7.2 uM	Cytotoxic activity against Murine Lymphocytic Leukemia P388 Concentration of agent required to reduce cell viability by 50%	ChEMBL.	10377219
IC50 (functional)	= 24 uM	Cytotoxic activity against Human promyelocytic Leukemia HL-60 Concentration of agent required to reduce cell viability by 50%	ChEMBL.	10377219
IC50 (functional)	= 24 uM	Cytotoxic activity against Human promyelocytic Leukemia HL-60 Concentration of agent required to reduce cell viability by 50%	ChEMBL.	10377219
IC90 (functional)	= 11 uM	Cytotoxic activity Murine Lymphocytic Leukemia P388 Concentration of agent required to reduce cell viability by 90%	ChEMBL.	10377219
IC90 (functional)	= 11 uM	Cytotoxic activity Murine Lymphocytic Leukemia P388 Concentration of agent required to reduce cell viability by 90%	ChEMBL.	10377219
IC90 (functional)	= 39 uM	Cytotoxic activity against Human promyelocytic Leukemia HL-60 Concentration of agent required to reduce cell viability by 90%	ChEMBL.	10377219
IC90 (functional)	= 39 uM	Cytotoxic activity against Human promyelocytic Leukemia HL-60 Concentration of agent required to reduce cell viability by 90%	ChEMBL.	10377219

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Mus musculus	ChEMBL23	10377219

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

PubChem: 10689476

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 109590