TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 295.336 | Formula: C17H17N3O2
H donors: 0 H acceptors: 2 LogP: 2.89 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)Cn1nncc1c1ccc(cc1)OC
InChi: 1S/C17H17N3O2/c1-21-15-7-3-13(4-8-15)12-20-17(11-18-19-20)14-5-9-16(22-2)10-6-14/h3-11H,12H2,1-2H3
InChiKey: FBJPNIGWUGXSHE-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
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0139	1
Trichomonas vaginalis	CMGC family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CMGC family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Toxoplasma gondii	cell-cycle-associated protein kinase, putative	0.0106	0.1874	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0011	0.0139	1
Entamoeba histolytica	P-glycoprotein-5	0.0011	0.0139	0.0139
Echinococcus multilocularis	ATP binding cassette sub family B	0.0011	0.0137	0.9841
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0139	0.0139
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0008	0.0078	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0139	0.0139
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0139	1
Echinococcus multilocularis	multidrug resistance protein 1	0.0011	0.0139	1
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0078	0.0078
Brugia malayi	multidrug resistance protein 3	0.0011	0.0139	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0139	1
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Leishmania major	serine/threonine kinase-like protein, putative	0.0008	0.0078	0.5629
Schistosoma mansoni	hypothetical protein	0.0007	0.0073	0.5246
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Entamoeba histolytica	P-glycoprotein-2	0.0011	0.0139	0.0139
Brugia malayi	Cell division protein kinase 2	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0551	1	1
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0139	0.0139
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0139	1
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0139	1
Loa Loa (eye worm)	multidrug resistance protein 3	0.0011	0.0139	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0003	0	0.5
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0007	0.0073	0.5246
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Leishmania major	ATP-binding cassette protein subfamily B, member 2, putative	0.0011	0.0139	1
Loa Loa (eye worm)	haspin protein kinase	0.0007	0.0073	0.0073
Brugia malayi	cyclin-dependent kinase 7 homolog	0.0008	0.0078	0.0078
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0139	0.0139
Echinococcus multilocularis	serine:threonine protein kinase haspin	0.0007	0.0073	0.5246
Plasmodium vivax	serine/threonine protein kinase KIN, putative	0.0008	0.0078	0.039
Entamoeba histolytica	P-glyco protein 6, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	CMGC family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0139	1
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0078	0.0078
Loa Loa (eye worm)	phosphotyrosine protein phosphatase	0.0551	1	1
Trichomonas vaginalis	abcb9, putative	0.0011	0.0139	0.0139
Entamoeba histolytica	protein kinase domain containing protein	0.0008	0.0078	0.0078
Brugia malayi	hypothetical protein	0.0007	0.0073	0.0073
Mycobacterium tuberculosis	Phosphotyrosine protein phosphatase PtpA (protein-tyrosine-phosphatase) (PTPase) (LMW phosphatase)	0.0551	1	1
Trypanosoma brucei	Mitogen-activated protein kinase 10, putative	0.0008	0.0078	1
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0007	0.0073	0.5246
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Giardia lamblia	Kinase, CAMK CAMKL	0.0008	0.0078	0.0078
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0551	1	1
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0551	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Giardia lamblia	Kinase, CAMK CAMKL	0.0008	0.0078	0.0078
Entamoeba histolytica	P-glycoprotein 5, putative	0.0011	0.0139	0.0139
Toxoplasma gondii	ABC transporter transmembrane region domain-containing protein	0.0011	0.0139	0.0744
Trypanosoma cruzi	Mitogen-activated protein kinase 10, putative	0.0008	0.0078	1
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Schistosoma mansoni	protein kinase	0.0008	0.0078	0.5629
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Plasmodium vivax	multidrug resistance protein 1, putative	0.0011	0.0139	0.0694
Entamoeba histolytica	cell division protein kinase 2, putative	0.0008	0.0078	0.0078
Trichomonas vaginalis	taga, putative	0.0011	0.0139	0.0139
Echinococcus multilocularis	multidrug resistance protein 1	0.0008	0.0078	0.5606
Leishmania major	p-glycoprotein	0.0011	0.0139	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0139	1
Loa Loa (eye worm)	haspin protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CMGC family protein kinase	0.0008	0.0078	0.0078
Wolbachia endosymbiont of Brugia malayi	ABC-type protease secretion system, ATPase and permease component, AprD	0.0003	0	0.5
Trichomonas vaginalis	G protein-coupled receptor kinase, putative	0.0008	0.0078	0.0078
Leishmania major	mitogen-activated protein kinase, putative,map kinase-like protein	0.0008	0.0078	0.5629
Echinococcus granulosus	Pfam-B_8186 domain containing protein	0.0007	0.0073	0.5246
Entamoeba histolytica	P-glycoprotein-1	0.0011	0.0139	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0551	1	1
Loa Loa (eye worm)	haspin protein kinase	0.0007	0.0073	0.0073
Schistosoma mansoni	multidrug resistance protein	0.0011	0.0139	1
Echinococcus granulosus	multidrug resistance protein 1	0.0008	0.0078	0.5606
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0011	0.0139	0.0139
Entamoeba histolytica	P-glycoprotein-2	0.0011	0.0139	0.0139
Trichomonas vaginalis	abcb9, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0078	0.0078
Brugia malayi	GSG2	0.0007	0.0073	0.0073
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Echinococcus granulosus	5'partial\|ATP binding cassette sub family B	0.0011	0.0137	0.9841
Onchocerca volvulus		0.0551	1	1
Trichomonas vaginalis	serine/threonine kinase, putative	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	ABC transporter, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0139	0.0139
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0008	0.0078	1
Loa Loa (eye worm)	ATP-binding cassette sub-family B member 2	0.0011	0.0139	0.0139
Giardia lamblia	Low molecular weight protein-tyrosine-phosphatase	0.0551	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0551	1	1
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Echinococcus granulosus	mitogen activated protein kinase 15	0.0008	0.0078	0.5629
Schistosoma mansoni	serine/threonine kinase	0.0008	0.0078	0.5629
Echinococcus multilocularis	serine:threonine protein kinase NLK	0.0008	0.0078	0.5629
Echinococcus multilocularis	Cell division cycle 2 protein kinase	0.0008	0.0078	0.5629
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	low molecular weight protein tyrosine phosphatase, putative	0.0551	1	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0139
Brugia malayi	Protein kinase domain containing protein	0.0008	0.0078	0.0078
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0011	0.0139	0.0139
Mycobacterium tuberculosis	Probable transmembrane multidrug efflux pump	0.0011	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0137	0.0137
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Wolbachia endosymbiont of Brugia malayi	ABC-type multidrug transport system, ATPase and permease component	0.0003	0	0.5
Echinococcus granulosus	cyclin dependent kinase 9	0.0008	0.0078	0.5629
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0139	1
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0139	0.0139
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0139	1
Echinococcus granulosus	multidrug resistance protein 1	0.0011	0.0139	1
Schistosoma mansoni	multidrug resistance protein	0.0011	0.0139	1
Entamoeba histolytica	protein tyrosine phosphatase, putative	0.0551	1	1
Plasmodium falciparum	multidrug resistance protein 1	0.0011	0.0139	0.0694
Trichomonas vaginalis	ABC transporter, putative	0.0011	0.0139	0.0139
Echinococcus granulosus	serine:threonine protein kinase NLK	0.0008	0.0078	0.5629
Trichomonas vaginalis	ABC transporter, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	low molecular weight protein-tyrosine-phosphatase, putative	0.0551	1	1
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0139	0.0139
Echinococcus granulosus	Cell division cycle 2 protein kinase	0.0008	0.0078	0.5629
Entamoeba histolytica	P-glycoprotein-2, putative	0.0011	0.0139	0.0139
Echinococcus multilocularis	ATP binding cassette subfamily B (MDR:TAP)	0.0011	0.0139	1
Trichomonas vaginalis	multidrug resistance protein 1, 2, putative	0.0011	0.0139	0.0139
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0139	0.0139
Echinococcus multilocularis	cyclin dependent kinase 9	0.0008	0.0078	0.5629
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0007	0.0073	0.5246
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0078	0.0078
Loa Loa (eye worm)	AGC/PDK1 protein kinase	0.0008	0.0078	0.0078
Mycobacterium leprae	PROBABLE DRUGS-TRANSPORT TRANSMEMBRANE ATP-BINDING PROTEIN ABC TRANSPORTER	0.0003	0	0.5
Mycobacterium ulcerans	phosphotyrosine protein phosphatase PtpA	0.0551	1	1
Echinococcus granulosus	ATP binding cassette subfamily B MDR:TAP	0.0011	0.0139	1
Chlamydia trachomatis	ABC transporter ATP binding protein/permease	0.0011	0.0139	0.5
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	protein kinase atmrk1, putative	0.0008	0.0078	0.0078
Schistosoma mansoni	multidrug resistance protein	0.0011	0.0139	1
Schistosoma mansoni	serine/threonine protein kinase	0.0008	0.0078	0.5629
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0078	0.0078
Plasmodium falciparum	MO15-related protein kinase	0.0114	0.2011	1
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	abcb9, putative	0.0011	0.0139	0.0139
Entamoeba histolytica	hypothetical protein	0.0007	0.0073	0.0073
Toxoplasma gondii	ATP-binding cassette transporter ABC.B1	0.0011	0.0139	0.0744
Brugia malayi	ABC transporter family protein	0.0011	0.0139	0.0139
Echinococcus granulosus	serine:threonine protein kinase haspin	0.0007	0.0073	0.5246
Trichomonas vaginalis	ATP-binding cassette transporter, putative	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Echinococcus multilocularis	hypothetical protein	0.0007	0.0073	0.5246
Trichomonas vaginalis	lipid A export ATP-binding/permease protein msba, putative	0.0011	0.0139	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	ABC transporter, putative	0.0011	0.0139	0.0139
Plasmodium vivax	cyclin dependent kinase 7 (cdk7), putative	0.0114	0.2011	1
Trypanosoma brucei	protein kinase, putative	0.0008	0.0078	1
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Echinococcus granulosus	multidrug resistance protein 1	0.0008	0.0078	0.5606
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Giardia lamblia	Kinase, CAMK CAMKL	0.0008	0.0078	0.0078
Loa Loa (eye worm)	CMGC/CDK/CRK7 protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Schistosoma mansoni	hypothetical protein	0.0007	0.0073	0.5246
Trichomonas vaginalis	AGC family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	CAMK family protein kinase	0.0008	0.0078	0.0078
Trichomonas vaginalis	ABC transporter, half transporter, putative	0.0011	0.0139	0.0139
Schistosoma mansoni	smdr2	0.0011	0.0139	1

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: CHEMBL1910925

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 1570212