TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 409.483 | Formula: C25H23N5O
H donors: 1 H acceptors: 3 LogP: 4.92 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Nc1ncnc2c1c(nn2C(C)C)c1ccc2c(c1)ccc(c2)OCc1ccccc1
InChi: 1S/C25H23N5O/c1-16(2)30-25-22(24(26)27-15-28-25)23(29-30)20-9-8-19-13-21(11-10-18(19)12-20)31-14-17-6-4-3-5-7-17/h3-13,15-16H,14H2,1-2H3,(H2,26,27,28)
InChiKey: LPHRWFLVTLSQRC-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
Plasmodium falciparum	amino acid transporter, putative	0.004	0.0225	0.5
Brugia malayi	Cytochrome P450 family protein	0.0055	0.0453	0.0453
Leishmania major	cytochrome p450-like protein	0.0026	0	0.5
Schistosoma mansoni	vesicular acetylcholine transporter	0.066	1	1
Onchocerca volvulus		0.0236	0.3316	0.3162
Echinococcus multilocularis	serotonin transporter	0.0236	0.3316	0.3162
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.004	0.0225	0.0225
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0236	0.3316	0.3316
Loa Loa (eye worm)	hypothetical protein	0.004	0.0225	0.0225
Schistosoma mansoni	sodium/chloride dependent transporter	0.0236	0.3316	0.3162
Plasmodium vivax	hypothetical protein, conserved	0.004	0.0225	0.5
Plasmodium falciparum	transporter, putative	0.004	0.0225	0.5
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.004	0.0225	0.0225
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0521	0.7809	0.7759
Loa Loa (eye worm)	cytochrome P450 family protein	0.0055	0.0453	0.0453
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0236	0.3316	0.3316
Echinococcus granulosus	vesicular acetylcholine transporter	0.066	1	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.004	0.0225	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0225	0.0225
Onchocerca volvulus	Vesicular acetylcholine transporter homolog	0.066	1	1
Loa Loa (eye worm)	serotonin transporter b	0.0236	0.3316	0.3316
Toxoplasma gondii	hypothetical protein	0.004	0.0225	0.5
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.004	0.0225	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.004	0.0225	0.0225
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.004	0.0225	0.0225
Brugia malayi	hypothetical protein	0.004	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.004	0.0225	0.0225
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0236	0.3316	0.3316
Loa Loa (eye worm)	hypothetical protein	0.0236	0.3316	0.3316
Toxoplasma gondii	hypothetical protein	0.004	0.0225	0.5
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.004	0.0225	0.5
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.004	0.0225	0.5
Loa Loa (eye worm)	hypothetical protein	0.004	0.0225	0.0225
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.004	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.0236	0.3316	0.3316
Loa Loa (eye worm)	vesicular acetylcholine transporter unc-17	0.066	1	1
Echinococcus multilocularis	vesicular acetylcholine transporter	0.066	1	1
Echinococcus granulosus	tm gpcr rhodopsin	0.0521	0.7809	0.7759
Loa Loa (eye worm)	hypothetical protein	0.004	0.0225	0.0225
Trypanosoma brucei	cytochrome P450, putative	0.0026	0	0.5
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0026	0	0.5
Echinococcus granulosus	serotonin transporter	0.0236	0.3316	0.3162
Loa Loa (eye worm)	hypothetical protein	0.004	0.0225	0.0225
Loa Loa (eye worm)	hypothetical protein	0.004	0.0225	0.0225
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.004	0.0225	0.0225
Trypanosoma cruzi	cytochrome P450, putative	0.0026	0	0.5
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0236	0.3316	0.3162
Plasmodium vivax	amine transporter, putative	0.004	0.0225	0.5
Loa Loa (eye worm)	norepinephrine transporter	0.0236	0.3316	0.3316
Treponema pallidum	sodium- and chloride- dependent transporter	0.0236	0.3316	0.5

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: CHEMBL2078865

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 1674231