TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 276.336 | Formula: C17H16N4
H donors: 2 H acceptors: 1 LogP: 2.23 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: c1ccc(cc1)Cc1[nH]c2c(c1C1=NCCN1)cccn2
InChi: 1S/C17H16N4/c1-2-5-12(6-3-1)11-14-15(17-19-9-10-20-17)13-7-4-8-18-16(13)21-14/h1-8H,9-11H2,(H,18,21)(H,19,20)
InChiKey: MWFBIQQOPHRURS-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
Schistosoma mansoni	serine/threonine protein kinase	0.0254	0.3285	1
Echinococcus granulosus	cyclins	0.0036	0.0125	0.0222
Echinococcus granulosus	cyclins	0.0036	0.0125	0.0222
Schistosoma mansoni	serine/threonine protein kinase	0.0046	0.0282	0.0708
Echinococcus multilocularis	cyclin dependent kinase	0.0046	0.0282	0.0708
Echinococcus multilocularis	cyclin B3 1	0.0036	0.0125	0.0222
Echinococcus granulosus	cyclin dependent kinase 5	0.0046	0.0282	0.0708
Schistosoma mansoni	cyclin B	0.0061	0.0486	0.1339
Giardia lamblia	Kinase, CMGC CDK	0.0046	0.0282	0.1527
Trichomonas vaginalis	cyclin D, putative	0.0036	0.0125	0.0096
Echinococcus granulosus	cyclins	0.0036	0.0125	0.0222
Trichomonas vaginalis	cyclin B, putative	0.0061	0.0486	0.1227
Echinococcus granulosus	fibroblast growth factor receptor 4	0.0208	0.2624	0.7953
Trichomonas vaginalis	AGC family protein kinase	0.0107	0.1153	0.3318
Echinococcus granulosus	cyclins	0.0036	0.0125	0.0222
Brugia malayi	hypothetical protein	0.0066	0.0564	0.0514
Echinococcus multilocularis	G2:mitotic specific cyclin B3	0.0036	0.0125	0.0222
Trichomonas vaginalis	STE family protein kinase	0.0107	0.1153	0.3318
Echinococcus granulosus	3-phosphoinositide-dependent protein kinase 1	0.0254	0.3285	1
Echinococcus multilocularis	cyclin dependent kinase 1	0.0046	0.0282	0.0708
Trichomonas vaginalis	cyclin A, putative	0.0061	0.0486	0.1227
Echinococcus granulosus	twitchin	0.0086	0.0861	0.2499
Trichomonas vaginalis	CMGC family protein kinase	0.0046	0.0282	0.0588
Trichomonas vaginalis	AGC family protein kinase	0.0254	0.3285	1
Echinococcus multilocularis	cyclin B	0.0061	0.0486	0.1339
Trichomonas vaginalis	cyclin B, putative	0.0061	0.0486	0.1227
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0066	0.0564	0.1582
Trichomonas vaginalis	cyclin D, putative	0.0036	0.0125	0.0096
Trichomonas vaginalis	AGC family protein kinase	0.0254	0.3285	1
Brugia malayi	cell division control protein 2 homolog	0.0046	0.0282	0.023
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0066	0.0564	0.1582
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.008	0.0764	0.2201
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.0208	0.2624	0.7953
Leishmania major	cyclin	0.0061	0.0486	1
Loa Loa (eye worm)	TK protein kinase	0.0225	0.2868	0.283
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0564	0.0514
Trypanosoma cruzi	cyclin, putative	0.0061	0.0486	1
Trypanosoma cruzi	cyclin 6, putative	0.0061	0.0486	1
Giardia lamblia	Kinase, CMGC CDK	0.0046	0.0282	0.1527
Giardia lamblia	Kinase, NEK	0.0107	0.1153	1
Giardia lamblia	Kinase, NEK	0.0107	0.1153	1
Schistosoma mansoni	vesicular amine transporter	0.0066	0.0564	0.1582
Echinococcus multilocularis	cyclins	0.0036	0.0125	0.0222
Echinococcus granulosus	G2:mitotic specific cyclin B3	0.0036	0.0125	0.0222
Echinococcus multilocularis	cyclin b3	0.0036	0.0125	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0564	0.0514
Trichomonas vaginalis	cyclin B, putative	0.0036	0.0125	0.0096
Echinococcus granulosus	defective proboscis extension response	0.0066	0.0564	0.1582
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0036	0.0125	0.0072
Echinococcus multilocularis	cyclins	0.0036	0.0125	0.0222
Onchocerca volvulus		0.0061	0.0486	0.0479
Echinococcus multilocularis	cyclins	0.0036	0.0125	0.0222
Echinococcus granulosus	cyclins	0.0036	0.0125	0.0222
Schistosoma mansoni	cyclin B3	0.0036	0.0125	0.0222
Echinococcus multilocularis	cyclins	0.0036	0.0125	0.0222
Trichomonas vaginalis	cyclins, putative	0.0061	0.0486	0.1227
Echinococcus multilocularis	cyclins	0.0036	0.0125	0.0222
Echinococcus granulosus	cyclin dependent kinase 1	0.0046	0.0282	0.0708
Giardia lamblia	Kinase, NEK	0.0107	0.1153	1
Echinococcus multilocularis	Immunoglobulin	0.0066	0.0564	0.1582
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0717	1	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0066	0.0564	0.0514
Brugia malayi	Protein kinase domain containing protein	0.0254	0.3285	0.325
Echinococcus granulosus	cyclin dependent kinase	0.0046	0.0282	0.0708
Entamoeba histolytica	protein kinase, putative	0.0254	0.3285	1
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0066	0.0564	0.1582
Echinococcus multilocularis	cyclins	0.0036	0.0125	0.0222
Schistosoma mansoni	serine/threonine protein kinase	0.0046	0.0282	0.0708
Trichomonas vaginalis	CMGC family protein kinase	0.0046	0.0282	0.0588
Schistosoma mansoni	tyrosine kinase	0.0208	0.2624	0.7953
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0254	0.3285	0.325
Onchocerca volvulus		0.0629	0.8722	0.9594
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0564	0.0514
Trichomonas vaginalis	cyclins, putative	0.0036	0.0125	0.0096
Loa Loa (eye worm)	hypothetical protein	0.008	0.0764	0.0715
Echinococcus multilocularis	cyclin dependent kinase 1	0.0046	0.0282	0.0708
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0046	0.0282	0.023
Brugia malayi	Fibronectin type III domain containing protein	0.0066	0.0564	0.0514
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.0208	0.2624	0.7953
Plasmodium falciparum	NIMA related kinase 1	0.0107	0.1153	1
Trichomonas vaginalis	cyclin B, putative	0.0061	0.0486	0.1227
Trichomonas vaginalis	cyclins, putative	0.0061	0.0486	0.1227
Leishmania major	CYC2-like cyclin, putative,cyclin 6, putative	0.0061	0.0486	1
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0046	0.0282	0.2442
Echinococcus multilocularis	cyclin dependent kinase 5	0.0046	0.0282	0.0708
Loa Loa (eye worm)	cyclin domain-containing protein	0.0036	0.0125	0.0072
Echinococcus multilocularis	cyclins	0.0036	0.0125	0.0222
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1009	0.0961
Schistosoma mansoni	cell adhesion molecule	0.008	0.0764	0.2201
Entamoeba histolytica	cell division protein kinase 2, putative	0.0046	0.0282	0.0497
Schistosoma mansoni	nephrin	0.0083	0.0808	0.2337
Onchocerca volvulus	Tyrosine kinase homolog	0.0654	0.9088	1
Plasmodium vivax	NIMA-related protein kinase (Pfnek-1), putative	0.0107	0.1153	1
Loa Loa (eye worm)	hypothetical protein	0.0097	0.1009	0.0961
Brugia malayi	Protein kinase domain containing protein	0.0046	0.0282	0.023
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0034	0.0105	0.0053
Trypanosoma cruzi	cyclin, putative	0.0061	0.0486	1
Echinococcus granulosus	Immunoglobulin	0.0066	0.0564	0.1582
Echinococcus multilocularis	3 phosphoinositide dependent protein kinase 1	0.0254	0.3285	1
Brugia malayi	phosphoinositide-dependent protein kinase I	0.0254	0.3285	0.325
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0486	0.0435
Schistosoma mansoni	cyclins	0.0036	0.0125	0.0222
Trichomonas vaginalis	cyclin B, putative	0.0061	0.0486	0.1227
Trichomonas vaginalis	cyclins, putative	0.0061	0.0486	0.1227
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0061	0.0486	0.0435
Trichomonas vaginalis	cyclins, putative	0.0061	0.0486	0.1227
Echinococcus granulosus	cyclin B	0.0061	0.0486	0.1339
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0046	0.0282	0.0708
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0225	0.2868	0.283
Entamoeba histolytica	cyclin, putative	0.0061	0.0486	0.1142
Toxoplasma gondii	NIMA-related protein kinase NIMA1	0.0107	0.1153	1
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0046	0.0282	0.023
Echinococcus granulosus	cyclin b3	0.0036	0.0125	0.0222
Entamoeba histolytica	cell division protein kinase 2, putative	0.0046	0.0282	0.0497
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0229	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0564	0.0514
Echinococcus granulosus	neuroglian	0.0083	0.0808	0.2337
Giardia lamblia	G2/mitotic-specific cyclin B	0.0061	0.0486	0.351
Echinococcus multilocularis	neuroglian	0.0083	0.0808	0.2337
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0486	0.0435
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0046	0.0282	0.023
Echinococcus multilocularis	Immunoglobulin	0.0066	0.0564	0.1582
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0564	0.0514
Echinococcus granulosus	cyclin B3 1	0.0036	0.0125	0.0222
Trichomonas vaginalis	AGC family protein kinase	0.0254	0.3285	1
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0564	0.0514
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0254	0.3285	0.325
Echinococcus multilocularis	roundabout 2	0.0097	0.1009	0.2956
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0125	0.0096
Trichomonas vaginalis	cyclin B3, putative	0.0036	0.0125	0.0096
Brugia malayi	Cyclin, N-terminal domain containing protein	0.0061	0.0486	0.0435
Schistosoma mansoni	tyrosine kinase	0.0039	0.0175	0.0379
Plasmodium falciparum	protein kinase 5	0.0046	0.0282	0.1527
Trichomonas vaginalis	CMGC family protein kinase	0.0046	0.0282	0.0588
Echinococcus granulosus	roundabout 2	0.0097	0.1009	0.2956
Trypanosoma brucei	mitotic cyclin 6	0.0061	0.0486	1
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.0208	0.2624	0.7953
Trypanosoma cruzi	CYC2-like cyclin, putative	0.0061	0.0486	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Activity (functional)	= 14.8 pg/hr	Insulinotropic activity in rat RIN5F cells assessed as glucose dependent insulin secretion per ug of total protein at 0.1 uM	ChEMBL.	17723306
Activity (functional)	= 18.2 pg/hr	Insulinotropic activity in rat RIN5F cells assessed as glucose dependent insulin secretion per ug of total protein at 1 uM	ChEMBL.	17723306
Activity (functional)	= 32.6 pg/hr	Insulinotropic activity in rat RIN5F cells assessed as glucose dependent insulin secretion per ug of total protein at 10 uM	ChEMBL.	17723306

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

No external resources registered for this compound

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 451301