TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 303.361 | Formula: C18H17N5
H donors: 2 H acceptors: 3 LogP: 3.72 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: n1ccc(cc1)Nc1nccc(n1)Nc1ccc2c(c1)CCC2
InChi: 1S/C18H17N5/c1-2-13-4-5-16(12-14(13)3-1)21-17-8-11-20-18(23-17)22-15-6-9-19-10-7-15/h4-12H,1-3H2,(H2,19,20,21,22,23)
InChiKey: FSIWNVBLSPDROY-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
Echinococcus granulosus	multidrug resistance associated protein 7	0.0015	0.6604	0.6604
Brugia malayi	ATP-dependent DNA helicase, RecQ family protein	0.002	1	1
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0003	0	0.5
Leishmania major	ATP-binding cassette protein subfamily C, member 5, putative	0.0015	0.6604	0.6604
Loa Loa (eye worm)	hypothetical protein	0.001	0.4118	0.4118
Trypanosoma cruzi	multidrug resistance protein E, putative	0.0015	0.6604	0.6604
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0015	0.6604	0.6604
Mycobacterium ulcerans	drugs-transport transmembrane ATP-binding protein ABC transporter	0.0003	0	0.5
Trypanosoma cruzi	hypothetical protein	0.0011	0.4607	0.4607
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0015	0.6604	0.6604
Schistosoma mansoni	blooms syndrome DNA helicase	0.001	0.3885	0.3885
Mycobacterium tuberculosis	Probable drugs-transport transmembrane ATP-binding protein ABC transporter	0.0003	0	0.5
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.4118	0.4118
Echinococcus multilocularis	multidrug resistance associated protein 1	0.0015	0.6604	0.6604
Loa Loa (eye worm)	hypothetical protein	0.0014	0.6535	0.6535
Entamoeba histolytica	multidrug resistance protein, putative	0.0015	0.6604	0.6604
Onchocerca volvulus		0.0003	0	0.5
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0003	0	0.5
Entamoeba histolytica	hypothetical protein	0.0015	0.6604	0.6604
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0015	0.6604	0.6604
Trichomonas vaginalis	DNA helicase recq, putative	0.002	1	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	1	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.001	0.3885	0.3885
Giardia lamblia	ABC transporter, putative	0.0015	0.6604	0.0201
Brugia malayi	ABC transporter transmembrane region family protein	0.0015	0.6604	0.6604
Trypanosoma brucei	multidrug resistance-associated protein, putative	0.0015	0.6604	0.6604
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0003	0	0.5
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0003	0	0.5
Schistosoma mansoni	DNA helicase recq5	0.002	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0015	0.6604	0.0201
Schistosoma mansoni	multidrug resistance protein	0.0015	0.6604	0.6604
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0015	0.6604	0.6604
Echinococcus multilocularis	ATP dependent DNA helicase Q1	0.002	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.6604	0.6604
Echinococcus granulosus	multidrug resistance associated protein 1	0.0015	0.6604	0.6604
Loa Loa (eye worm)	ATP-dependent DNA helicase	0.002	1	1
Entamoeba histolytica	recQ family helicase, putative	0.001	0.3885	0.3885
Mycobacterium ulcerans	component linked with the assembly of cytochrome transport transmembrane ATP-binding protein ABC transporter CydD	0.0003	0	0.5
Trypanosoma brucei	multidrug resistance protein E	0.0015	0.6604	0.6604
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0003	0	0.5
Loa Loa (eye worm)	multidrug resistance-associated protein	0.0011	0.4677	0.4677
Leishmania major	p-glycoprotein e	0.0015	0.6604	0.6604
Leishmania major	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	1	1
Plasmodium falciparum	ATP-dependent DNA helicase Q1	0.002	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 2, putative	0.0015	0.6604	0.6604
Plasmodium vivax	ADP-dependent DNA helicase RecQ, putative	0.001	0.4118	1
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0003	0	0.5
Trypanosoma brucei	p-glycoprotein	0.0015	0.6604	0.6604
Plasmodium falciparum	ADP-dependent DNA helicase RecQ	0.002	1	1
Echinococcus granulosus	bloom syndrome protein	0.002	1	1
Schistosoma mansoni	DNA helicase recq1	0.002	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0015	0.6604	0.6604
Giardia lamblia	Sgs1 DNA helicase, putative	0.002	1	1
Plasmodium vivax	ATP-dependent DNA helicase Q1, putative	0.001	0.3885	0.9435
Echinococcus multilocularis	ATP dependent DNA helicase Q5	0.002	1	1
Leishmania major	pentamidine resistance protein 1	0.0015	0.6604	0.6604
Trichomonas vaginalis	DNA helicase recq, putative	0.002	1	1
Echinococcus granulosus	ATP dependent DNA helicase Q5	0.002	1	1
Leishmania major	ATP-binding cassette protein subfamily C, member 1, putative	0.0015	0.6604	0.6604
Leishmania major	ATP-binding cassette protein subfamily C, member 6, putative	0.0015	0.6604	0.6604
Brugia malayi	multidrug resistance related protein 1	0.0015	0.6604	0.6604
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0003	0	0.5
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.001	0.4118	0.4118
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	1	1
Mycobacterium ulcerans	transmembrane ABC transporter ATP-binding protein	0.0003	0	0.5
Entamoeba histolytica	ABC transporter, putative	0.0015	0.6604	0.6604
Mycobacterium tuberculosis	Iron-regulated transporter IrtA	0.0003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.002	1	1
Trypanosoma brucei	ATP-dependent DEAD/H DNA helicase recQ, putative	0.002	1	1
Toxoplasma gondii	ATP-dependent DNA helicase, RecQ family protein	0.002	1	1
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0015	0.6604	0.6604
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0003	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.4118	0.4118
Trypanosoma cruzi	multidrug resistance-associated protein, putative	0.0015	0.6604	0.6604
Loa Loa (eye worm)	ABC transporter transmembrane region family protein	0.0015	0.6604	0.6604
Trichomonas vaginalis	DNA helicase recq1, putative	0.002	1	1
Brugia malayi	Bloom's syndrome protein homolog	0.002	1	1
Echinococcus granulosus	multidrug resistance associated protein 4	0.0011	0.4607	0.4607
Treponema pallidum	ATP-dependent DNA helicase	0.001	0.4118	0.5
Echinococcus multilocularis	multidrug resistance associated protein 4	0.0011	0.4607	0.4607
Loa Loa (eye worm)	hypothetical protein	0.0015	0.6604	0.6604
Entamoeba histolytica	recQ family helicase, putative	0.002	1	1
Entamoeba histolytica	ATP-binding cassette protein, putative	0.0015	0.6604	0.6604
Echinococcus multilocularis	bloom syndrome protein	0.002	1	1
Giardia lamblia	Multidrug resistance-associated protein 1	0.0015	0.6604	0.0201
Echinococcus granulosus	ATP dependent DNA helicase Q1	0.002	1	1
Loa Loa (eye worm)	RecQ helicase	0.002	1	1
Entamoeba histolytica	recQ family DNA helicase	0.001	0.4118	0.4118
Echinococcus multilocularis	multidrug resistance associated protein 7	0.0015	0.6604	0.6604
Trypanosoma cruzi	ATP-dependent DEAD/H DNA helicase recQ, putative	0.001	0.4118	0.4118
Schistosoma mansoni	multidrug resistance protein	0.0015	0.6604	0.6604
Schistosoma mansoni	blooms syndrome DNA helicase	0.001	0.4118	0.4118
Leishmania major	ABC-thiol transporter	0.0015	0.6604	0.6604
Schistosoma mansoni	multidrug resistance protein	0.0015	0.6604	0.6604
Schistosoma mansoni	multidrug resistance protein	0.0015	0.6604	0.6604
Giardia lamblia	MRP-like ABC transporter	0.0015	0.6604	0.0201

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: CHEMBL1241939

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 992033