TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 352.453 | Formula: C19H20N4OS
H donors: 2 H acceptors: 3 LogP: 2.29 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc2c(c1)ccnc2)NC(c1nccs1)C1CCNCC1
InChi: 1S/C19H20N4OS/c24-18(15-1-2-16-12-21-8-5-14(16)11-15)23-17(19-22-9-10-25-19)13-3-6-20-7-4-13/h1-2,5,8-13,17,20H,3-4,6-7H2,(H,23,24)
InChiKey: IVYGVYJVPJSBIE-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	v-akt murine thymoma viral oncogene homolog 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma congolense	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	rac serine:threonine kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	Glutaredoxin protein 5	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_126635	All targets in OG5_126635
Candida albicans	likely protein kinase similar to S. cerevisiae YPK2 (YMR104C)	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	serine threonine protein kinase nrc	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Brugia malayi	p70 ribosomal S6 kinase beta	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma mansoni	serine/threonine-protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma mansoni	serine/threonine-protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Candida albicans	protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	ko:K07390 monothiol glutaredoxin, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Giardia lamblia	Kinase, AGC PKA	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma cruzi	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Neospora caninum	Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	serine/threonine protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	ko:K04456 RAC serine/threonine-protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase 2, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit beta-1, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium berghei	rac-beta serine/threonine protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	Glutaredoxin protein 5	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Toxoplasma gondii	AGC kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium knowlesi	RAC-beta serine/threonine protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma brucei gambiense	rac serine-threonine kinase, putative,protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	ko:K08792 serum/glucocorticoid regulated kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma brucei	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma japonicum	RAC serine/threonine-protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium yoelii	kinase Akt/PKB-related	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma cruzi	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Loa Loa (eye worm)	AGC/AKT protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus granulosus	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	Get druggable targets OG5_126635	All targets in OG5_126635
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma cruzi	Protein kinase B	Get druggable targets OG5_126635	All targets in OG5_126635

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	serine:threonine protein kinase N2	0.0013	0.0389	0.0389
Echinococcus granulosus	nervana 2	0.0025	0.1064	0.1064
Mycobacterium tuberculosis	Probable integral membrane protein	0.0037	0.1788	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0013	0.0389	0.0389
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1941	0.1628
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0013	0.0389	0.0389
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0389	0.0016
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2236	0.2236
Trichomonas vaginalis	AGC family protein kinase	0.0015	0.053	0.0163
Loa Loa (eye worm)	hypothetical protein	0.0093	0.4974	0.4974
Echinococcus multilocularis	CAAX prenyl protease 2	0.0182	1	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0019	0.0715	0.034
Brugia malayi	exodeoxyribonuclease III family protein	0.0019	0.0715	0.0715
Echinococcus granulosus	nervana 2	0.0025	0.1064	0.1064
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0037	0.1788	1
Echinococcus granulosus	serine threonine protein kinase nrc	0.0025	0.108	0.108
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0013	0.0389	0.0389
Brugia malayi	Protein kinase domain containing protein	0.0013	0.0389	0.0389
Onchocerca volvulus		0.0093	0.4974	1
Entamoeba histolytica	protein kinase, putative	0.0038	0.1799	0.1468
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0715	0.0355
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0013	0.0389	0.0389
Schistosoma mansoni	atypical protein kinase C	0.0013	0.0389	0.0389
Echinococcus multilocularis	serine threonine protein kinase	0.0013	0.0389	0.0389
Schistosoma mansoni	serine/threonine protein kinase	0.0013	0.0389	0.0389
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0182	1	1
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0013	0.0389	0.0389
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1941	0.1628
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0389	0.0016
Echinococcus granulosus	Glutaredoxin protein 5	0.0025	0.1064	0.1064
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2236	0.2236
Schistosoma mansoni	ap endonuclease	0.0019	0.0715	0.0715
Toxoplasma gondii	hypothetical protein	0.0037	0.1788	0.9898
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1941	0.1628
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0025	0.108	0.3398
Schistosoma mansoni	ap endonuclease	0.0019	0.0715	0.0715
Echinococcus granulosus	protein kinase c iota type	0.0013	0.0389	0.0389
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0025	0.108	0.108
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0182	1	1
Echinococcus granulosus	NDR protein kinase	0.0013	0.0389	0.0389
Echinococcus multilocularis	protein kinase c epsilon type	0.0013	0.0389	0.0389
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0093	0.4974	0.4974
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0037	0.1788	1
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0013	0.0389	0.0389
Schistosoma mansoni	serine/threonine protein kinase	0.0013	0.0389	0.0389
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0025	0.1064	0.1064
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1941	0.1628
Entamoeba histolytica	CAAX amino terminal protease family	0.0037	0.1788	0.1456
Plasmodium vivax	protease, putative	0.0037	0.1788	1
Giardia lamblia	Kinase, AGC PKA	0.0025	0.108	0.0393
Toxoplasma gondii	CAAX amino terminal protease family protein	0.0037	0.1788	0.9898
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0025	0.108	0.108
Brugia malayi	Trypsin family protein	0.0093	0.4974	0.4974
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0013	0.0389	0.0389
Echinococcus multilocularis	protein kinase c iota type	0.0013	0.0389	0.0389
Entamoeba histolytica	CAAX amino terminal protease family	0.0037	0.1788	0.1456
Entamoeba histolytica	protein kinase, putative	0.004	0.1941	0.1615
Echinococcus granulosus	Protein kinase C brain isozyme	0.0013	0.0389	0.0389
Trichomonas vaginalis	ap endonuclease, putative	0.0019	0.0715	0.0355
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1941	0.1628
Schistosoma mansoni	serine/threonine protein kinase	0.0013	0.0389	0.0389
Trichomonas vaginalis	AGC family protein kinase	0.0013	0.0389	0.0016
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0025	0.108	0.0393
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0013	0.0389	0.0389
Echinococcus multilocularis	nervana 2	0.0025	0.1064	0.1064
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0013	0.0389	0.0389
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0025	0.1064	0.1064
Entamoeba histolytica	protein kinase, putative	0.004	0.1941	0.1615
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0013	0.0389	0.0389
Toxoplasma gondii	AGC kinase	0.0038	0.1799	1
Echinococcus multilocularis	Glutaredoxin protein 5	0.0025	0.1064	0.1064
Echinococcus granulosus	protein kinase C gamma type	0.0013	0.0389	0.0389
Schistosoma mansoni	serine/threonine protein kinase	0.0013	0.0389	0.0389
Entamoeba histolytica	protein kinase 2, putative	0.0025	0.108	0.0719
Echinococcus multilocularis	nervana 2	0.0025	0.1064	0.1064
Schistosoma mansoni	serine/threonine protein kinase	0.0013	0.0389	0.0389
Brugia malayi	protein kinase C II.	0.0013	0.0389	0.0389
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0013	0.0389	0.0389
Trypanosoma brucei	rac serine-threonine kinase, putative	0.004	0.1941	0.132
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0182	1	1
Brugia malayi	Protein kinase domain containing protein	0.0013	0.0389	0.0389
Schistosoma mansoni	serine/threonine protein kinase	0.0013	0.0389	0.0389
Echinococcus multilocularis	rac serine:threonine kinase	0.0028	0.1221	0.1221
Schistosoma mansoni	serine/threonine protein kinase	0.0013	0.0389	0.0389
Toxoplasma gondii	hypothetical protein	0.0037	0.1788	0.9898
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0028	0.1221	0.0866
Schistosoma mansoni	serine/threonine-protein kinase	0.0028	0.1221	0.1221
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0028	0.1221	0.0866
Onchocerca volvulus		0.0087	0.4627	0.9303
Mycobacterium ulcerans	integral membrane protein	0.0037	0.1788	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2236	0.2236
Treponema pallidum	hypothetical protein	0.0037	0.1788	1
Trypanosoma cruzi	Protein kinase B	0.0028	0.1221	0.0545
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0182	1	1
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.0037	0.1788	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2236	0.2236
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0038	0.1799	0.1799
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2236	0.2236
Schistosoma mansoni	serine/threonine-protein kinase	0.0028	0.1221	0.1221
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1941	0.1628
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2236	0.2236
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0019	0.0715	0.3998
Loa Loa (eye worm)	hypothetical protein	0.0013	0.0389	0.0389
Mycobacterium ulcerans	hypothetical protein	0.0037	0.1788	1
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0025	0.108	0.3398
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2236	0.2236
Echinococcus granulosus	CAAX prenyl protease 2	0.0182	1	1
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0013	0.0389	0.0389
Loa Loa (eye worm)	hypothetical protein	0.0093	0.4974	0.4974
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2236	0.2236
Chlamydia trachomatis	hypothetical protein	0.0037	0.1788	0.5
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0019	0.0715	0.0715
Schistosoma mansoni	serine/threonine kinase	0.0013	0.0389	0.0389
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0013	0.0389	0.0389
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0028	0.1221	0.0545
Loa Loa (eye worm)	hypothetical protein	0.0182	1	1
Giardia lamblia	Hypothetical protein	0.0182	1	1
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0182	1	1
Echinococcus granulosus	protein kinase c epsilon type	0.0013	0.0389	0.0389
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0182	1	1
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0013	0.0389	0.0389
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0013	0.0389	0.0389
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0013	0.0389	0.0389
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0093	0.4974	0.4974
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0019	0.0715	0.5
Mycobacterium ulcerans	hypothetical protein	0.0037	0.1788	1
Entamoeba histolytica	CAAX prenyl protease family	0.0182	1	1
Brugia malayi	Protein kinase domain containing protein	0.004	0.1941	0.1941
Echinococcus granulosus	serine/threonine protein kinase	0.0028	0.1221	0.1221
Brugia malayi	Hr1 repeat family protein	0.0013	0.0389	0.0389
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0019	0.0715	0.0715
Trichomonas vaginalis	AGC family protein kinase	0.004	0.1941	0.1628
Plasmodium falciparum	protease, putative	0.0037	0.1788	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0038	0.1799	0.1799
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2236	0.2236
Loa Loa (eye worm)	AGC/AKT protein kinase	0.004	0.1941	0.1941
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0019	0.0715	0.0715
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0182	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1.57 uM	Inhibition of AKT1	ChEMBL.	21824779
IC50 (binding)	> 25 uM	Inhibition of CDK2	ChEMBL.	21824779

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: CHEMBL1823634

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 1032288