TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 415.488 | Formula: C24H25N5O2
H donors: 3 H acceptors: 3 LogP: 4.4 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CNc1ncnc2c1cccc2CNc1cc(ccc1C)NC(=O)c1cc(oc1C)C
InChi: 1S/C24H25N5O2/c1-14-8-9-18(29-24(30)20-10-15(2)31-16(20)3)11-21(14)26-12-17-6-5-7-19-22(17)27-13-28-23(19)25-4/h5-11,13,26H,12H2,1-4H3,(H,29,30)(H,25,27,28)
InChiKey: OXTWGCZDTAVIGX-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
Leishmania major	histone deacetylase, putative	0.0599	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0148	0.0148
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0019	0.023	1
Toxoplasma gondii	histone deacetylase HDAC5	0.0171	0.2784	0.2784
Echinococcus granulosus	histone deacetylase 8	0.0171	0.2784	0.2784
Plasmodium falciparum	histone deacetylase 1	0.0599	1	1
Echinococcus granulosus	histone deacetylase 6	0.0171	0.2784	0.2784
Entamoeba histolytica	acyl-coA synthetase, putative	0.0019	0.023	0.023
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0024	0.0314	0.0314
Loa Loa (eye worm)	histone deacetylase 3	0.0599	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.0599	1	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0599	1	1
Toxoplasma gondii	histone deacetylase HDAC1	0.0171	0.2784	0.2784
Trypanosoma brucei	histone deacetylase 2	0.0171	0.2784	0.2784
Leishmania major	histone deacetylase, putative	0.0171	0.2784	0.2784
Trypanosoma brucei	histone deacetylase 3	0.0171	0.2784	0.2784
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0134	0.5844
Leishmania major	histone deacetylase, putative	0.0171	0.2784	0.2784
Echinococcus granulosus	histone deacetylase 6	0.0171	0.2784	0.2784
Echinococcus multilocularis	histone deacetylase	0.0171	0.2784	0.2784
Onchocerca volvulus		0.0193	0.3154	1
Plasmodium falciparum	histone deacetylase 2	0.0171	0.2784	0.2784
Echinococcus multilocularis	histone deacetylase 8	0.0171	0.2784	0.2784
Trichomonas vaginalis	histone deacetylase, putative	0.0599	1	1
Brugia malayi	Pre-SET motif family protein	0.0024	0.0314	0.0314
Entamoeba histolytica	histone deacetylase, putative	0.0599	1	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.023	0.023
Brugia malayi	histone deacetylase 11	0.0171	0.2784	0.2784
Onchocerca volvulus	Histone deacetylase 10 homolog	0.0171	0.2784	0.8829
Trypanosoma cruzi	histone deacetylase, putative	0.0171	0.2784	0.2784
Trypanosoma cruzi	histone deacetylase, putative	0.0171	0.2784	0.2784
Echinococcus granulosus	histone lysine methyltransferase setb	0.0024	0.0314	0.0314
Echinococcus granulosus	histone deacetylase	0.0171	0.2784	0.2784
Brugia malayi	Histone deacetylase 1	0.0599	1	1
Onchocerca volvulus		0.0019	0.023	0.0728
Toxoplasma gondii	histone deacetylase HDAC3	0.0599	1	1
Onchocerca volvulus		0.0024	0.0314	0.0996
Brugia malayi	Histone deacetylase family protein	0.0171	0.2784	0.2784
Trypanosoma brucei	histone deacetylase, putative	0.0171	0.2784	0.2784
Mycobacterium ulcerans	hypothetical protein	0.0019	0.023	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0023	0.0299	0.0299
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.023	0.023
Toxoplasma gondii	histone deacetylase HDAC2	0.0599	1	1
Giardia lamblia	Histone deacetylase	0.0599	1	0.5
Plasmodium vivax	histone deacetylase, putative	0.0171	0.2784	0.2784
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.023	1
Echinococcus multilocularis	histone deacetylase 6	0.0171	0.2784	0.2784
Loa Loa (eye worm)	histone deacetylase	0.0171	0.2784	0.2784
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0019	0.023	1
Loa Loa (eye worm)	histone deacetylase 7A	0.0171	0.2784	0.2784
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0024	0.0314	0.0314
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0019	0.023	0.023
Echinococcus granulosus	histone deacetylase 7	0.0171	0.2784	0.2784
Schistosoma mansoni	histone deacetylase 4 5	0.0171	0.2784	0.2784
Trichomonas vaginalis	histone deacetylase, putative	0.0599	1	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0019	0.023	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0148	0.0148
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0148	0.0148
Loa Loa (eye worm)	histone deacetylase 11	0.0171	0.2784	0.2784
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0014	0.0148	0.6421
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0024	0.0314	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0599	1	1
Trypanosoma cruzi	histone deacetylase, putative	0.0171	0.2784	0.2784
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0014	0.0148	0.5
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0134	0.5844
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0019	0.023	1
Echinococcus multilocularis	histone deacetylase 3	0.0599	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.023	1
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.023	0.023
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0024	0.0314	0.0314
Leishmania major	4-coumarate:coa ligase-like protein	0.0019	0.023	0.023
Schistosoma mansoni	histone deacetylase hda2	0.0171	0.2784	0.2784
Trypanosoma cruzi	histone deacetylase, putative	0.0171	0.2784	0.2784
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0599	1	1
Echinococcus multilocularis	histone deacetylase 1	0.0599	1	1
Plasmodium vivax	histone deacetylase 2, putative	0.0171	0.2784	0.2784
Schistosoma mansoni	histone deacetylase 4 5	0.0171	0.2784	0.2784
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0134	0.5844
Schistosoma mansoni	histone deacetylase	0.0599	1	1
Trypanosoma brucei	histone deacetylase 1	0.0599	1	1
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0019	0.023	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0024	0.0314	0.0314
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0024	0.0314	0.0314
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.023	0.023
Echinococcus granulosus	histone deacetylase 6	0.0171	0.2784	0.2784
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0169	0.2759	0.2759
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0014	0.0134	0.5844
Trichomonas vaginalis	histone deacetylase, putative	0.0599	1	1
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0314	0.0314
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0599	1	1
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0019	0.023	1
Brugia malayi	histone deacetylase 1 (HD1)	0.0599	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.0599	1	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0019	0.023	1
Echinococcus multilocularis	histone deacetylase 6	0.0171	0.2784	0.2784
Echinococcus multilocularis	histone deacetylase 7	0.0171	0.2784	0.2784
Plasmodium vivax	histone deacetylase 1, putative	0.0599	1	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0019	0.023	1
Trichomonas vaginalis	histone deacetylase, putative	0.0599	1	1
Echinococcus granulosus	histone deacetylase 1	0.0599	1	1
Plasmodium falciparum	histone deacetylase, putative	0.0171	0.2784	0.2784
Trichomonas vaginalis	set domain proteins, putative	0.0193	0.3154	0.3154
Loa Loa (eye worm)	histone deacetylase 1	0.0599	1	1
Echinococcus multilocularis	histone deacetylase 6	0.0171	0.2784	0.2784
Trypanosoma cruzi	histone deacetylase, putative	0.0171	0.2784	0.2784
Schistosoma mansoni	histone deacetylase	0.0599	1	1
Leishmania major	histone deacetylase, putative	0.0599	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.023	0.023
Echinococcus granulosus	histone deacetylase 3	0.0599	1	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0599	1	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.2784	0.2784
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0014	0.0148	0.6421
Plasmodium vivax	histone deacetylase, putative	0.0171	0.2784	0.2784
Brugia malayi	Pre-SET motif family protein	0.0169	0.2759	0.2759
Loa Loa (eye worm)	hypothetical protein	0.0014	0.0148	0.0148
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0024	0.0314	0.0314
Loa Loa (eye worm)	hypothetical protein	0.0019	0.023	0.023
Plasmodium vivax	acyl-CoA synthetase, putative	0.0014	0.0148	0.0148
Plasmodium vivax	SET domain protein, putative	0.0024	0.0314	0.0314
Toxoplasma gondii	histone deacetylase HDAC4	0.0171	0.2784	0.2784
Trypanosoma cruzi	histone deacetylase 1, putative	0.0599	1	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.023	0.023
Trypanosoma brucei	histone deacetylase 4	0.0171	0.2784	0.2784
Schistosoma mansoni	histone deacetylase hda2	0.0171	0.2784	0.2784
Brugia malayi	Histone deacetylase family protein	0.0171	0.2784	0.2784
Brugia malayi	AMP-binding enzyme family protein	0.0019	0.023	0.023
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0019	0.023	0.023
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.023	1
Schistosoma mansoni	histone deacetylase 1 2 3	0.0171	0.2784	0.2784
Plasmodium falciparum	acyl-CoA synthetase	0.0014	0.0148	0.0148

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: CHEMBL1257248

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 1257586