TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 474.062 | Formula: C24H32ClN5OS
H donors: 1 H acceptors: 3 LogP: 3.31 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CC(NC[C@H](C(=O)N1CCN(CC1)c1ncnc2c1[C@H](C)SC2)Cc1ccc(cc1)Cl)C
InChi: 1S/C24H32ClN5OS/c1-16(2)26-13-19(12-18-4-6-20(25)7-5-18)24(31)30-10-8-29(9-11-30)23-22-17(3)32-14-21(22)27-15-28-23/h4-7,15-17,19,26H,8-14H2,1-3H3/t17-,19+/m0/s1
InChiKey: KTOSTKQYNJBYHF-PKOBYXMFSA-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
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	nervana 2	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
Candida albicans	protein kinase	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
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
Neospora caninum	Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related	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
Schistosoma japonicum	Sodium/potassium-transporting ATPase subunit beta-1, putative	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
Trichomonas vaginalis	AGC family protein kinase	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
Echinococcus granulosus	calcium:calmodulin dependent 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
Echinococcus granulosus	nervana 2	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
Trypanosoma congolense	rac serine-threonine 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 multilocularis	nervana 2	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
Candida albicans	likely protein kinase similar to S. cerevisiae YPK2 (YMR104C)	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
Brugia malayi	p70 ribosomal S6 kinase beta	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
Trypanosoma brucei	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
Schistosoma japonicum	ko:K04456 RAC serine/threonine-protein kinase, putative	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
Trypanosoma cruzi	rac serine-threonine kinase, putative	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
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
Schistosoma mansoni	serine/threonine-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	nervana 2	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
Toxoplasma gondii	AGC 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
Trichomonas vaginalis	AGC family protein kinase	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
Echinococcus granulosus	serine/threonine protein kinase	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
Loa Loa (eye worm)	AGC/AKT protein kinase	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
Plasmodium knowlesi	RAC-beta serine/threonine 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
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	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
Entamoeba histolytica	PH domain containing protein kinase, putative	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

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	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Onchocerca volvulus		0.0022	0.0204	0.0204
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Leishmania major	hypothetical protein, conserved	0.035	1	0.5
Echinococcus multilocularis	Peptidase S1 S6, chymotrypsin Hap	0.0178	0.4844	0.4696
Trichomonas vaginalis	AGC family protein kinase	0.004	0.074	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0178	0.4844	0.465
Brugia malayi	Trypsin family protein	0.0178	0.4844	0.4737
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0028	0.0363	0.0076
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0178	0.4844	0.465
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0025	0.0289	0.0009
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0028	0.0363	0.164
Onchocerca volvulus		0.035	1	1
Loa Loa (eye worm)	hypothetical protein	0.0178	0.4844	0.4737
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0028	0.0363	0.164
Onchocerca volvulus		0.0022	0.0204	0.0204
Brugia malayi	hypothetical protein	0.0178	0.4844	0.4737
Echinococcus multilocularis	subfamily S1A unassigned peptidase (S01 family)	0.0178	0.4844	0.4696
Echinococcus multilocularis	Mastin	0.0178	0.4844	0.4696
Onchocerca volvulus		0.0178	0.4844	0.4844
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0178	0.4844	0.465
Echinococcus granulosus	glycoprotein Antigen 5	0.0178	0.4844	0.4696
Trypanosoma cruzi	Protein kinase B	0.0028	0.0363	0.0076
Mycobacterium ulcerans	hypothetical protein	0.0178	0.4844	0.5
Onchocerca volvulus		0.0022	0.0204	0.0204
Brugia malayi	Chymotrypsin-like protease CTRL-1 precursor	0.0178	0.4844	0.4737
Onchocerca volvulus		0.0022	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0178	0.4844	0.4737
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.035	1	1
Trichomonas vaginalis	AGC family protein kinase	0.004	0.074	1
Echinococcus multilocularis	rac serine:threonine kinase	0.0028	0.0363	0.0085
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0025	0.0289	0.0009
Trichomonas vaginalis	AGC family protein kinase	0.004	0.074	1
Echinococcus multilocularis	glycoprotein Antigen 5	0.0178	0.4844	0.4696
Onchocerca volvulus		0.0178	0.4844	0.4844
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Toxoplasma gondii	kringle domain-containing protein	0.035	1	1
Onchocerca volvulus		0.0178	0.4844	0.4844
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0178	0.4844	0.465
Brugia malayi	Trypsin family protein	0.0178	0.4844	0.4737
Toxoplasma gondii	PAN domain-containing protein	0.0345	0.9842	0.9839
Giardia lamblia	Kinase, AGC PKA	0.0025	0.0289	0.5
Onchocerca volvulus		0.0178	0.4844	0.4844
Brugia malayi	Protein kinase domain containing protein	0.004	0.074	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0178	0.4844	0.4737
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Loa Loa (eye worm)	AGC/AKT protein kinase	0.004	0.074	0.0547
Loa Loa (eye worm)	hypothetical protein	0.0178	0.4844	0.4737
Echinococcus granulosus	Peptidase S1 S6 chymotrypsin Hap	0.0178	0.4844	0.4696
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0178	0.4844	0.465
Echinococcus multilocularis	enteropeptidase	0.0178	0.4844	0.4696
Onchocerca volvulus		0.0022	0.0204	0.0204
Echinococcus granulosus	transmembrane protease serine 3	0.0178	0.4844	0.4696
Brugia malayi	Trypsin family protein	0.0178	0.4844	0.4737
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Onchocerca volvulus		0.0178	0.4844	0.4844
Onchocerca volvulus		0.0022	0.0204	0.0204
Echinococcus granulosus	enteropeptidase	0.0178	0.4844	0.4696
Onchocerca volvulus		0.0022	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0178	0.4844	0.4737
Brugia malayi	Trypsin family protein	0.0178	0.4844	0.4737
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0178	0.4844	0.465
Schistosoma mansoni	hypothetical protein	0.0178	0.4844	0.465
Entamoeba histolytica	protein kinase, putative	0.004	0.074	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0178	0.4844	0.465
Loa Loa (eye worm)	hypothetical protein	0.0178	0.4844	0.4737
Loa Loa (eye worm)	hypothetical protein	0.0178	0.4844	0.4737
Onchocerca volvulus		0.0022	0.0204	0.0204
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0178	0.4844	0.465
Trypanosoma cruzi	hypothetical protein, conserved	0.035	1	1
Onchocerca volvulus		0.0022	0.0204	0.0204
Echinococcus granulosus	serine/threonine protein kinase	0.0028	0.0363	0.0085
Onchocerca volvulus		0.0022	0.0204	0.0204
Trichomonas vaginalis	AGC family protein kinase	0.004	0.074	1
Brugia malayi	Kringle domain containing protein	0.035	1	1
Loa Loa (eye worm)	trypsin family protein	0.0178	0.4844	0.4737
Trypanosoma brucei	rac serine-threonine kinase, putative	0.004	0.074	0.5
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Schistosoma mansoni	hypothetical protein	0.0178	0.4844	0.465
Echinococcus granulosus	Mastin	0.0178	0.4844	0.4696
Loa Loa (eye worm)	hypothetical protein	0.035	1	1
Loa Loa (eye worm)	TK/ROR protein kinase	0.035	1	1
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0038	0.0666	0.0472
Trichomonas vaginalis	AGC family protein kinase	0.004	0.074	1
Onchocerca volvulus		0.0178	0.4844	0.4844
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Echinococcus multilocularis	tissue type plasminogen activator	0.035	1	1
Echinococcus granulosus	tissue type plasminogen activator	0.035	1	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Trichomonas vaginalis	AGC family protein kinase	0.004	0.074	1
Trichomonas vaginalis	AGC family protein kinase	0.004	0.074	1
Schistosoma mansoni	hypothetical protein	0.035	1	1
Entamoeba histolytica	protein kinase, putative	0.004	0.074	1
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Schistosoma mansoni	cercarial elastase (S01 family)	0.0178	0.4844	0.465
Brugia malayi	p70 ribosomal S6 kinase beta	0.0038	0.0666	0.0472
Toxoplasma gondii	PAN domain-containing protein	0.0345	0.9842	0.9839
Onchocerca volvulus		0.0022	0.0204	0.0204
Brugia malayi	Trypsin-like protease protein 5	0.0178	0.4844	0.4737
Toxoplasma gondii	AGC kinase	0.0038	0.0666	0.0472
Plasmodium falciparum	cysteine repeat modular protein 1	0.035	1	1
Entamoeba histolytica	protein kinase, putative	0.0038	0.0666	0.836
Echinococcus granulosus	subfamily S1A unassigned peptidase S01 family	0.0178	0.4844	0.4696
Echinococcus granulosus	serine threonine protein kinase nrc	0.0025	0.0289	0.0009
Echinococcus multilocularis	transmembrane protease serine 3	0.0178	0.4844	0.4696

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of Akt in human LNCaP cell assessed as inhibition of PRAS40 phosphorylation	ChEMBL.	20971641
IC50 (binding)	= 127 nM	Inhibition of Akt1	ChEMBL.	20971641

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: CHEMBL1632385

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 1464591