TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 319.357 | Formula: C19H17N3O2
H donors: 1 H acceptors: 2 LogP: 1.79 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: O=C1Nc2ccccc2CN1c1cccc2c1C1CCCN1C2=O
InChi: 1S/C19H17N3O2/c23-18-13-6-3-8-16(17(13)15-9-4-10-21(15)18)22-11-12-5-1-2-7-14(12)20-19(22)24/h1-3,5-8,15H,4,9-11H2,(H,20,24)
InChiKey: DIZPSQQGONUJBE-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

Species	Target name	Source	Bibliographic reference
Homo sapiens	cyclin-dependent kinase 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma brucei	mitogen-activated protein kinase 5	cyclin-dependent kinase 4	303 aa	312 aa	29.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Schistosoma mansoni	endoplasmin	0.0126	0.0495	1
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0063	0.1269
Entamoeba histolytica	heat shock protein 90, putative	0.0126	0.0495	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0063	0.1269
Entamoeba histolytica	protein kinase rad3, putative	0.0061	0.0063	0.1269
Plasmodium falciparum	endoplasmin, putative	0.0077	0.0171	0.345
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Trypanosoma brucei	heat shock protein, putative	0.0126	0.0495	1
Toxoplasma gondii	FATC domain-containing protein	0.0061	0.0063	0.1269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trypanosoma cruzi	heat shock protein 85, putative	0.0126	0.0495	0.1512
Trypanosoma brucei	FAT domain/Rapamycin binding domain/Phosphatidylinositol 3- and 4-kinase, putative	0.0068	0.0109	0.2208
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0108	0.0377	0.0377
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0108	0.0377	0.1105
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0108	0.0377	0.1152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Entamoeba histolytica	heat shock protein 90, putative	0.0126	0.0495	1
Brugia malayi	Endoplasmin precursor	0.0126	0.0495	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Plasmodium vivax	heat shock protein 86, putative	0.0126	0.0495	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0108	0.0377	0.7618
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.01	0.0324	0.095
Trypanosoma cruzi	heat shock protein 90, putative	0.01	0.0324	0.099
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0063	0.1269
Trypanosoma cruzi	heat shock protein 85, putative	0.0126	0.0495	0.1512
Brugia malayi	heat shock protein 90	0.0126	0.0495	1
Trypanosoma brucei	heat shock protein 90, putative	0.0126	0.0495	1
Schistosoma mansoni	heat shock protein	0.0126	0.0495	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trypanosoma cruzi	heat shock protein 90, putative	0.0126	0.0495	0.1512
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0108	0.0377	0.1105
Echinococcus multilocularis	endoplasmin	0.01	0.0324	0.0324
Echinococcus multilocularis	heat shock protein 90	0.01	0.0324	0.0324
Schistosoma mansoni	endoplasmin	0.0126	0.0495	1
Loa Loa (eye worm)	phosphatidylinositol 3	0.0108	0.0377	0.7618
Echinococcus granulosus	serine protein kinase ATM	0.0061	0.0063	0.0063
Loa Loa (eye worm)	hypothetical protein	0.0068	0.0109	0.2208
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0108	0.0377	0.1152
Giardia lamblia	GTOR	0.0108	0.0377	0.3096
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Plasmodium vivax	endoplasmin, putative	0.0126	0.0495	1
Trypanosoma brucei	Heat shock protein 83, putative	0.0126	0.0495	1
Trypanosoma brucei	heat shock protein, putative	0.0126	0.0495	1
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0108	0.0377	0.1105
Trypanosoma cruzi	heat shock protein 85, putative	0.01	0.0324	0.099
Plasmodium falciparum	heat shock protein 90	0.0126	0.0495	1
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0108	0.0377	0.1105
Echinococcus multilocularis	serine protein kinase ATM	0.0061	0.0063	0.0063
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0108	0.0377	0.7618
Trichomonas vaginalis	endoplasmin, putative	0.0077	0.0171	0.345
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0061	0.0063	0.1269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0063	0.1269
Leishmania major	hypothetical protein, conserved	0.0565	0.3413	1
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0108	0.0377	0.1152
Trypanosoma cruzi	heat shock protein 90, putative	0.0074	0.0151	0.0462
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0052	0	0.5
Trichomonas vaginalis	heat shock protein, putative	0.0126	0.0495	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0108	0.0377	0.0377
Echinococcus multilocularis	heat shock protein 90	0.0126	0.0495	0.0495
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0063	0.1269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0377	0.7618
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Trypanosoma cruzi	target of rapamycin kinase 3	0.0108	0.0377	0.1152
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0061	0.0063	0.0192
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0108	0.0377	0.0377
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.01	0.0324	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trypanosoma brucei	heat shock protein, putative	0.0126	0.0495	1
Trichomonas vaginalis	heat shock protein, putative	0.0077	0.0171	0.345
Trypanosoma cruzi	hypothetical protein, conserved	0.0544	0.3274	1
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0109	0.2208
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0068	0.0109	0.2208
Echinococcus granulosus	heat shock protein	0.0126	0.0495	0.0495
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0063	0.1269
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0063	0.1269
Schistosoma mansoni	heat shock protein	0.0126	0.0495	1
Trypanosoma brucei	heat shock protein, putative	0.0126	0.0495	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0063	0.1269
Entamoeba histolytica	hypothetical protein	0.0061	0.0063	0.1269
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Trichomonas vaginalis	heat shock protein, putative	0.01	0.0324	0.655
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0108	0.0377	0.7618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0061	0.0063	0.0192
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Toxoplasma gondii	heat shock protein 90, putative	0.0126	0.0495	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0061	0.0063	0.1269
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.01	0.0324	0.0324
Toxoplasma gondii	non-specific serine/threonine protein kinase	0.0068	0.0109	0.2208
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0108	0.0377	0.7618
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Trypanosoma brucei	heat shock protein, putative	0.0126	0.0495	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0126	0.0495	1
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0061	0.0063	0.1269
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.01	0.0324	0.5
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trypanosoma brucei	heat shock protein, putative	0.0126	0.0495	1
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0108	0.0377	0.7618
Trichomonas vaginalis	heat shock protein, putative	0.01	0.0324	0.655
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0108	0.0377	0.7618
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Trypanosoma cruzi	heat shock protein 85, putative	0.0126	0.0495	0.1512
Trypanosoma brucei	heat shock protein, putative	0.0126	0.0495	1
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0108	0.0377	0.7618
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0061	0.0063	0.1269
Loa Loa (eye worm)	heat shock protein 90	0.0126	0.0495	1
Treponema pallidum	heat shock protein 90	0.01	0.0324	0.5
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0108	0.0377	0.7618
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0108	0.0377	0.1152
Loa Loa (eye worm)	endoplasmin	0.0126	0.0495	1
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0108	0.0377	0.1105
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0061	0.0063	0.1269
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0061	0.0063	0.0063
Echinococcus granulosus	heat shock protein 90	0.0126	0.0495	0.0495
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0108	0.0377	0.7618
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0061	0.0063	0.1269
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.01	0.0324	0.5
Trichomonas vaginalis	heat shock protein, putative	0.01	0.0324	0.655
Echinococcus multilocularis	DNA dependent protein kinase catalytic subunit	0.1556	1	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0108	0.0377	0.0377
Echinococcus multilocularis	heat shock protein	0.0126	0.0495	0.0495
Loa Loa (eye worm)	phosphatidylinositol 3	0.0108	0.0377	0.7618
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Trypanosoma cruzi	Heat shock protein 83, putative	0.0126	0.0495	0.1512
Echinococcus granulosus	endoplasmin	0.01	0.0324	0.0324
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Echinococcus granulosus	heat shock protein 90	0.01	0.0324	0.0324
Trypanosoma brucei	heat shock protein, putative	0.0126	0.0495	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0061	0.0063	0.1269
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0108	0.0377	0.7618
Toxoplasma gondii	heat shock protein HSP90	0.0126	0.0495	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0108	0.0377	0.7618
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Mycobacterium ulcerans	heat shock protein 90	0.01	0.0324	0.5
Trypanosoma brucei	heat shock protein 90, putative	0.0126	0.0495	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0061	0.0063	0.0063
Leishmania major	heat shock protein 83-1	0.0126	0.0495	0.145
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0108	0.0377	0.7618

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	> 10000 nM	Inhibition of CDK4	ChEMBL.	16876403
IC50 (binding)	> 10000 nM	Inhibition of CDK4	ChEMBL.	16876403

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.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 372234