TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 337.419 | Formula: C19H23N5O
H donors: 2 H acceptors: 2 LogP: 3.67 Rotable bonds: 11
Rule of 5 violations (Lipinski): 1
SMILES: N#CN/C(=N\CCCCCCOc1ccccc1)/Nc1cccnc1
InChi: 1S/C19H23N5O/c20-16-23-19(24-17-9-8-12-21-15-17)22-13-6-1-2-7-14-25-18-10-4-3-5-11-18/h3-5,8-12,15H,1-2,6-7,13-14H2,(H2,22,23,24)
InChiKey: YBRQJABPUVOIQN-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
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0213	0.1967	0.3438
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.03	0.0524
Onchocerca volvulus		0.0213	0.1967	0.3438
Giardia lamblia	E3 ubiquitin ligase for Rad6p required for the ubiquitination of histone H2B	0.0011	0	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0002	0.0004
Echinococcus granulosus	ring and YY1 binding protein	0.0213	0.1967	0.1967
Echinococcus multilocularis	zinc finger protein Ran binding	0.0213	0.1967	0.1967
Trypanosoma cruzi	hypothetical protein, conserved	0.0213	0.1967	1
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1967	0.3438
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1967	0.3438
Echinococcus multilocularis	SWI:SNF matrix associated	0.0599	0.5721	0.5721
Trypanosoma cruzi	cytochrome P450, putative	0.0012	0.0015	0.0076
Loa Loa (eye worm)	CYP4Cod1	0.0012	0.0015	0.0026
Schistosoma mansoni	hypothetical protein	0.0213	0.1967	0.3438
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0002	0.0004
Schistosoma mansoni	fusion	0.0213	0.1967	0.3438
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0599	0.5721	0.5721
Schistosoma mansoni	brg-1 associated factor	0.0599	0.5721	1
Giardia lamblia	Hypothetical protein	0.0011	0	0.5
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0038	0.0265	0.0464
Giardia lamblia	Ser/Thr protein kinase	0.0011	0	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0036	0.0241	0.0421
Entamoeba histolytica	zinc finger domain containing protein	0.0011	0	0.5
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0012	0.0015	0.5
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0036	0.0241	0.0421
Chlamydia trachomatis	SWIB complex protein	0.0599	0.5721	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Hypothetical protein	0.0011	0	0.5
Entamoeba histolytica	SPRY domain protein	0.0011	0	0.5
Echinococcus multilocularis	tumor protein p63	0.1038	1	1
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Entamoeba histolytica	zinc finger domain containing protein	0.0011	0	0.5
Echinococcus multilocularis	voltage gated potassium channel	0.0011	0.0002	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1967	0.3438
Giardia lamblia	Hypothetical protein	0.0011	0	0.5
Schistosoma mansoni	cellular tumor antigen P53	0.0152	0.1374	0.2401
Onchocerca volvulus		0.0213	0.1967	0.3438
Onchocerca volvulus		0.0213	0.1967	0.3438
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0011	0.0002	0.0004
Trypanosoma cruzi	WLM domain containing protein, putative	0.0213	0.1967	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0011	0.0002	0.0002
Schistosoma mansoni	TRABID protein (C64 family)	0.0213	0.1967	0.3438
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Entamoeba histolytica	hypothetical protein	0.0011	0	0.5
Leishmania major	hypothetical protein, conserved	0.0213	0.1967	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0599	0.5721	1
Brugia malayi	SWIB/MDM2 domain containing protein	0.0599	0.5721	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0213	0.1967	0.3438
Leishmania major	hypothetical protein, conserved	0.0213	0.1967	1
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0213	0.1967	0.3438
Trypanosoma cruzi	hypothetical protein, conserved	0.0213	0.1967	1
Onchocerca volvulus		0.0213	0.1967	0.3438
Echinococcus granulosus	SWI:SNF matrix associated	0.0599	0.5721	0.5721
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0213	0.1967	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0213	0.1967	0.1967
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0015	0.0026
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0599	0.5721	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0213	0.1967	0.1967
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0213	0.1967	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0213	0.1967	1
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0015	0.0026
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0213	0.1967	0.3438
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0599	0.5721	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0599	0.5721	0.5721
Chlamydia trachomatis	DNA topoisomerase I	0.0599	0.5721	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0599	0.5721	1
Trypanosoma brucei	hypothetical protein, conserved	0.0213	0.1967	1
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Ribonuclease	0.0011	0	0.5
Trypanosoma cruzi	WLM domain containing protein, putative	0.0213	0.1967	1
Toxoplasma gondii	ran binding protein	0.0213	0.1967	0.3438
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0213	0.1967	1
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0038	0.0265	0.0265
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0213	0.1967	0.3438
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1967	0.3438
Entamoeba histolytica	zinc finger domain containing protein	0.0011	0	0.5
Schistosoma mansoni	zinc finger protein	0.0213	0.1967	0.3438
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0038	0.0265	0.0265
Trypanosoma cruzi	hypothetical protein, conserved	0.0213	0.1967	1
Brugia malayi	YY1-associated factor 2	0.0213	0.1967	0.3438
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0213	0.1967	0.3438
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0038	0.0265	0.0464
Entamoeba histolytica	zinc finger domain containing protein	0.0011	0	0.5
Entamoeba histolytica	zinc finger domain containing protein	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Entamoeba histolytica	zinc finger domain containing protein	0.0011	0	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0213	0.1967	0.3438
Giardia lamblia	Zinc finger domain	0.0011	0	0.5
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0599	0.5721	1
Entamoeba histolytica	zinc finger domain containing protein	0.0011	0	0.5
Schistosoma mansoni	hypothetical protein	0.0599	0.5721	1
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Hypothetical protein	0.0011	0	0.5
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0599	0.5721	1
Echinococcus granulosus	zinc finger protein Ran binding	0.0213	0.1967	0.1967
Leishmania major	hypothetical protein, conserved	0.0213	0.1967	1
Giardia lamblia	Hypothetical protein	0.0011	0	0.5
Schistosoma mansoni	hypothetical protein	0.0599	0.5721	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0213	0.1967	1
Trypanosoma cruzi	cytochrome P450, putative	0.0012	0.0015	0.0076
Giardia lamblia	Kinase, NEK	0.0011	0	0.5
Schistosoma mansoni	voltage-gated potassium channel	0.0011	0.0002	0.0004
Leishmania major	cytochrome p450-like protein	0.0012	0.0015	0.0076
Echinococcus granulosus	Zinc finger RanBP2 type	0.0213	0.1967	0.1967
Brugia malayi	brahma associated protein 60 kDa	0.0599	0.5721	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0599	0.5721	1
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0213	0.1967	0.3438
Loa Loa (eye worm)	hypothetical protein	0.0152	0.1374	0.2401
Echinococcus granulosus	voltage gated potassium channel	0.0011	0.0002	0.0002
Leishmania major	hypothetical protein, conserved	0.0213	0.1967	1
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0213	0.1967	1
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Onchocerca volvulus		0.0599	0.5721	1
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0213	0.1967	0.1967
Giardia lamblia	Hypothetical protein	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Echinococcus multilocularis	SWI:SNF matrix associated	0.0599	0.5721	0.5721
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Giardia lamblia	Kinase, NEK	0.0011	0	0.5
Schistosoma mansoni	hypothetical protein	0.0599	0.5721	1
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Onchocerca volvulus		0.0152	0.1374	0.2401
Giardia lamblia	Hypothetical protein	0.0011	0	0.5
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0213	0.1967	1
Schistosoma mansoni	voltage-gated potassium channel	0.0042	0.03	0.0524
Leishmania major	hypothetical protein, conserved	0.0213	0.1967	1
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0011	0.0002	0.0002
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0213	0.1967	0.1967
Entamoeba histolytica	zinc finger domain containing protein	0.0011	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0216	0.0378
Brugia malayi	brahma associated protein 60 kDa	0.0599	0.5721	1
Entamoeba histolytica	hypothetical protein	0.0011	0	0.5
Trypanosoma brucei	hypothetical protein, conserved	0.0213	0.1967	1
Trypanosoma brucei	cytochrome P450, putative	0.0012	0.0015	0.0076
Giardia lamblia	Zinc finger domain	0.0011	0	0.5
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0599	0.5721	0.5721
Schistosoma mansoni	RNA binding protein	0.0213	0.1967	0.3438
Giardia lamblia	Kinase	0.0011	0	0.5
Giardia lamblia	Protein 21.1	0.0011	0	0.5
Loa Loa (eye worm)	brahma associated protein	0.0599	0.5721	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0012	0.0015	0.0026
Trichomonas vaginalis	conserved hypothetical protein	0.0599	0.5721	1
Brugia malayi	Cytochrome P450 family protein	0.0012	0.0015	0.0026

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 52 nM	Evaluated in vitro for antiproliferative activity against NYH cell lines derived from small cell lung cancer	ChEMBL.	No reference
IC50 (functional)	= 52 nM	Evaluated in vitro for antiproliferative activity against NYH cell lines derived from small cell lung cancer	ChEMBL.	No reference
IC50 (functional)	= 230 nM	Evaluated in vitro for antiproliferative activity against MCF-7 cell lines model of hormone dependent breast cancer	ChEMBL.	No reference
IC50 (functional)	= 230 nM	Evaluated in vitro for antiproliferative activity against MCF-7 cell lines model of hormone dependent breast cancer	ChEMBL.	No reference
IC50 (functional)	= 530 nM	Evaluated in vitro for antiproliferative activity against NIC-H460 cell lines derived from large cell carcinoma of the lung	ChEMBL.	No reference
IC50 (functional)	= 530 nM	Evaluated in vitro for antiproliferative activity against NIC-H460 cell lines derived from large cell carcinoma of the lung	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23

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

No external resources registered for this compound

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 173016