TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 464.518 | Formula: C27H24N6O2
H donors: 3 H acceptors: 3 LogP: 3.38 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: N[C@@H](Cc1c[nH]c2c1cccc2)COc1cnc(c(c1)c1ncc2c(c1)c(C)n[nH]2)c1cocc1
InChi: 1S/C27H24N6O2/c1-16-22-10-25(30-13-26(22)33-32-16)23-9-20(12-31-27(23)17-6-7-34-14-17)35-15-19(28)8-18-11-29-24-5-3-2-4-21(18)24/h2-7,9-14,19,29H,8,15,28H2,1H3,(H,32,33)/t19-/m0/s1
InChiKey: KFUFYKHPONJLKZ-IBGZPJMESA-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
Homo sapiens	v-akt murine thymoma viral oncogene homolog 3	Starlite/ChEMBL	References
Homo sapiens	glycogen synthase kinase 3 beta	Starlite/ChEMBL	References
Homo sapiens	v-akt murine thymoma viral oncogene homolog 2	Starlite/ChEMBL	References
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Entamoeba histolytica	PH domain containing protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Brugia malayi	intracellular kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
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
Entamoeba histolytica	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
Brugia malayi	p70 ribosomal S6 kinase beta	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma brucei gambiense	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma japonicum	RAC serine/threonine-protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus granulosus	protein kinase shaggy	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium knowlesi	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trichomonas vaginalis	AGC family protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium yoelii	Protein kinase domain, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium berghei	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Entamoeba histolytica	protein kinase 2, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma mansoni	serine/threonine-protein kinase	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	ko:K07390 monothiol glutaredoxin, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Echinococcus multilocularis	protein kinase shaggy	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Candida albicans	Serine/threonine protein kinase required for induction of IME2 by Ime1p	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	PH domain containing protein kinase, putative	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
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	nervana 2	Get druggable targets OG5_126635	All targets in OG5_126635
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Trichomonas vaginalis	CMGC family protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trichomonas vaginalis	AGC family 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
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Plasmodium berghei	rac-beta serine/threonine protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	CMGC/GSK protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	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
Schistosoma mansoni	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
Trypanosoma cruzi	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
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
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	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
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
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma brucei	protein kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	second truncated form of RIM11 Serine/threonine protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	rac serine:threonine kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Babesia bovis	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	Get druggable targets OG5_126635	All targets in OG5_126635
Leishmania donovani	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Giardia lamblia	Kinase, CMGC GSK	Get druggable targets OG5_126888	All targets in OG5_126888
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Neospora caninum	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Trypanosoma cruzi	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	AGC/AKT protein kinase	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	serine threonine protein kinase nrc serine threonine protein kinase gad	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
Candida albicans	likely protein kinase similar to S. cerevisiae YPK2 (YMR104C)	Get druggable targets OG5_126635	All targets in OG5_126635
Leishmania infantum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	Glutaredoxin protein 5	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium vivax	glycogen synthase kinase 3, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium yoelii	kinase Akt/PKB-related	Get druggable targets OG5_126635	All targets in OG5_126635
Theileria parva	glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma cruzi	rac serine-threonine kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K08792 serum/glucocorticoid regulated kinase, putative	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
Schistosoma japonicum	ko:K08822 glycogen synthase kinase 3 alpha, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Trypanosoma cruzi	Protein kinase B	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
Cryptosporidium parvum	hypothetical protein	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	glycogen synthase kinase 3 beta	Get druggable targets OG5_126888	All targets in OG5_126888
Neospora caninum	Ribosomal protein S6 kinase alpha-6 (EC 2.7.11.1), related	Get druggable targets OG5_126635	All targets in OG5_126635
Entamoeba histolytica	protein kinase domain containing protein	Get druggable targets OG5_126888	All targets in OG5_126888
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Leishmania mexicana	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Echinococcus multilocularis	glycogen synthase kinase 3 beta	Get druggable targets OG5_126888	All targets in OG5_126888
Schistosoma japonicum	ko:K04456 RAC serine/threonine-protein kinase, putative	Get druggable targets OG5_126635	All targets in OG5_126635
Onchocerca volvulus		Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	Get druggable targets OG5_126888	All targets in OG5_126888
Leishmania braziliensis	protein kinase, putative,glycogen synthase kinase, putative	Get druggable targets OG5_126888	All targets in OG5_126888
Loa Loa (eye worm)	CMGC/GSK protein kinase	Get druggable targets OG5_126888	All targets in OG5_126888
Toxoplasma gondii	AGC kinase	Get druggable targets OG5_126635	All targets in OG5_126635
Plasmodium falciparum	glycogen synthase kinase 3	Get druggable targets OG5_126888	All targets in OG5_126888

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	RNA binding protein	0.0063	0.3337	0.4336
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.0044	0.2132	0.2132
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0018	0.0495	0.0643
Echinococcus granulosus	serine:threonine protein kinase N2	0.0044	0.2132	0.2132
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0059	0.3111	0.6198
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0305	0.0607
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0059	0.3111	0.3111
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0084	0.4704	0.4704
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0059	0.3111	1
Brugia malayi	intracellular kinase	0.0059	0.3111	0.4042
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.3337	0.4336
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.7697	1
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0015	0.0305	0.5
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0018	0.0495	0.0495
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0021	0.0701	0.1396
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.7697	1
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.2132	0.2132
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2232	0.2232
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0059	0.3111	0.3111
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0018	0.0495	0.0986
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0011	0.0073	0.0095
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0018	0.0495	0.0553
Echinococcus granulosus	protein kinase c epsilon type	0.0044	0.2132	0.2132
Entamoeba histolytica	protein kinase, putative	0.0044	0.2132	0.277
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.2232	0.2899
Echinococcus granulosus	serine threonine protein kinase nrc	0.0084	0.4704	0.4704
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0495	0.0643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0083	0.461	0.461
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0025	0.0919	0.1194
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0059	0.3111	0.4042
Echinococcus granulosus	protein kinase C gamma type	0.0044	0.2132	0.2132
Echinococcus multilocularis	protein kinase c iota type	0.0044	0.2132	0.2132
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0018	0.0495	0.0495
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0018	0.0495	0.0986
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0044	0.2132	0.2132
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.3337	0.4336
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3337	0.3337
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Giardia lamblia	Kinase, AGC PKA	0.0084	0.4704	1
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.2132	0.2132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Echinococcus granulosus	nervana 2	0.0083	0.461	0.461
Entamoeba histolytica	protein kinase domain containing protein	0.0059	0.3111	0.4042
Schistosoma mansoni	atypical protein kinase C	0.0044	0.2132	0.2132
Trypanosoma cruzi	cytochrome P450, putative	0.0015	0.0305	0.0607
Schistosoma mansoni	hypothetical protein	0.0167	1	1
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.0044	0.2132	0.2132
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0018	0.0495	0.0643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0305	0.0396
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.0044	0.2132	0.277
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0089	0.5019	0.6521
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Loa Loa (eye worm)	AGC/NDR protein kinase	0.0044	0.2132	0.277
Brugia malayi	Protein kinase domain containing protein	0.0131	0.7697	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0495	0.0643
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0018	0.0495	0.0553
Echinococcus granulosus	Glutaredoxin protein 5	0.0083	0.461	0.461
Brugia malayi	Protein kinase domain containing protein	0.0044	0.2132	0.277
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0089	0.5019	0.6521
Leishmania major	target of rapamycin (TOR) kinase 1, putative	0.0018	0.0495	0.0679
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.7697	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.2132	0.277
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0018	0.0495	0.0643
Echinococcus granulosus	serine protein kinase ATM	0.0025	0.0919	0.0919
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3337	0.3337
Onchocerca volvulus		0.0059	0.3111	0.5
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0701	0.0911
Loa Loa (eye worm)	cytochrome P450 family protein	0.0015	0.0305	0.0396
Echinococcus granulosus	tar DNA binding protein	0.0063	0.3337	0.3337
Entamoeba histolytica	protein kinase, putative	0.0059	0.3111	0.4042
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0073	0.0095
Echinococcus multilocularis	protein kinase c epsilon type	0.0044	0.2132	0.2132
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0089	0.5019	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Trichomonas vaginalis	AGC family protein kinase	0.0044	0.2132	0.277
Giardia lamblia	Kinase, CMGC GSK	0.0059	0.3111	0.6215
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0059	0.3111	0.3111
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0084	0.4704	0.4704
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0084	0.4704	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0018	0.0495	0.0495
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0018	0.0495	0.0679
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3337	0.3337
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0018	0.0495	0.0679
Echinococcus multilocularis	serine:threonine protein kinase 38	0.0044	0.2132	0.2132
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.2232	0.2899
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.0044	0.2132	0.277
Leishmania major	target of rapamycin kinase (TOR) kinase 3	0.0018	0.0495	0.0679
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.0044	0.2132	0.2132
Trichomonas vaginalis	serine/threonine-protein kinase sgk, putative	0.0042	0.2038	0.2647
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.0044	0.2132	0.2132
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.2132	0.2132
Echinococcus multilocularis	Glutaredoxin protein 5	0.0083	0.461	0.461
Trypanosoma cruzi	Protein kinase B	0.0089	0.5019	1
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.2132	0.2132
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3337	0.3337
Echinococcus multilocularis	serine threonine protein kinase	0.0044	0.2132	0.2132
Trypanosoma cruzi	target of rapamycin kinase 3	0.0018	0.0495	0.0986
Trypanosoma brucei	cytochrome P450, putative	0.0015	0.0305	0.0304
Echinococcus multilocularis	nervana 2	0.0083	0.461	0.461
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.7697	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.3111	0.4042
Echinococcus multilocularis	serine protein kinase ATM	0.0025	0.0919	0.0919
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.0044	0.2132	0.2132
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0018	0.0495	0.0495
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Echinococcus granulosus	protein kinase shaggy	0.0059	0.3111	0.3111
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0083	0.461	0.461
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.2232	0.2232
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Echinococcus granulosus	serine/threonine protein kinase	0.0089	0.5019	0.5019
Echinococcus granulosus	Protein kinase C brain isozyme	0.0044	0.2132	0.2132
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0126	0.7382	0.959
Entamoeba histolytica	hypothetical protein	0.0025	0.0919	0.1194
Loa Loa (eye worm)	RNA binding protein	0.0063	0.3337	0.4336
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0018	0.0497	0.0991
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Schistosoma mansoni	serine/threonine-protein kinase	0.0089	0.5019	0.5019
Echinococcus granulosus	protein kinase c iota type	0.0044	0.2132	0.2132
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.0044	0.2132	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0011	0.0033	0.0043
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0018	0.0495	0.0495
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.2132	0.2132
Loa Loa (eye worm)	phosphatidylinositol 3	0.0018	0.0495	0.0643
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.0919	0.1194
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2232	0.2232
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2232	0.2232
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0084	0.4704	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2232	0.2232
Toxoplasma gondii	FATC domain-containing protein	0.0025	0.0919	0.1158
Entamoeba histolytica	protein kinase, putative	0.0131	0.7697	1
Echinococcus multilocularis	serine:threonine protein kinase N2	0.0044	0.2132	0.2132
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0018	0.0495	0.0553
Brugia malayi	TAR-binding protein	0.0063	0.3337	0.4336
Brugia malayi	protein kinase C II.	0.0044	0.2132	0.277
Leishmania major	target of rapamycin (TOR) kinase 2, putative	0.0018	0.0495	0.0679
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.0044	0.2132	0.277
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.0044	0.2132	0.2132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0131	0.7697	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Entamoeba histolytica	protein kinase domain containing protein	0.0059	0.3111	0.4042
Giardia lamblia	Kinase, CMGC GSK	0.0059	0.3111	0.6215
Loa Loa (eye worm)	AGC/PKN protein kinase	0.0044	0.2132	0.277
Toxoplasma gondii	AGC kinase	0.0126	0.7382	1
Echinococcus multilocularis	geminin	0.0167	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.2132	0.2132
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0084	0.4704	0.9372
Brugia malayi	Hr1 repeat family protein	0.0044	0.2132	0.277
Brugia malayi	p70 ribosomal S6 kinase beta	0.0126	0.7382	0.959
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.0044	0.2132	0.277
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0025	0.0919	0.1832
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Trichomonas vaginalis	AGC family protein kinase	0.0044	0.2132	0.277
Schistosoma mansoni	serine/threonine kinase	0.0044	0.2132	0.2132
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0495	0.0986
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0018	0.0495	0.0986
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Entamoeba histolytica	protein kinase 2, putative	0.0084	0.4704	0.6111
Loa Loa (eye worm)	CYP4Cod1	0.0015	0.0305	0.0396
Schistosoma mansoni	serine/threonine protein kinase	0.0044	0.2132	0.2132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.0025	0.0919	0.111
Trichomonas vaginalis	CMGC family protein kinase	0.0059	0.3111	0.4042
Trichomonas vaginalis	AGC family protein kinase	0.0044	0.2132	0.277
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.3337	0.3337
Echinococcus granulosus	NDR protein kinase	0.0044	0.2132	0.2132
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0305	0.0396
Echinococcus granulosus	nervana 2	0.0083	0.461	0.461
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0018	0.0497	0.0687
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.7697	1
Entamoeba histolytica	protein kinase, putative	0.0126	0.7382	0.959
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0018	0.0495	0.0553
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0018	0.0495	0.0553
Trichomonas vaginalis	conserved hypothetical protein	0.0011	0.0073	0.0095
Entamoeba histolytica	protein kinase, putative	0.0131	0.7697	1
Echinococcus multilocularis	protein kinase shaggy	0.0059	0.3111	0.3111
Echinococcus multilocularis	rac serine:threonine kinase	0.0089	0.5019	0.5019
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.7697	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Trichomonas vaginalis	AGC family protein kinase	0.0049	0.2447	0.3179
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.2232	0.2232
Brugia malayi	Protein kinase domain containing protein	0.0044	0.2132	0.277
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0018	0.0495	0.0577
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.0025	0.0919	0.0919
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.3337	0.3337
Trypanosoma brucei	protein kinase, putative	0.0059	0.3111	0.3984
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0059	0.3111	0.4042
Echinococcus multilocularis	nervana 2	0.0083	0.461	0.461
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.3337	0.4336
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0059	0.3111	0.4156
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.2232	0.2232
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0131	0.7697	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0018	0.0495	0.0643
Schistosoma mansoni	serine/threonine-protein kinase	0.0089	0.5019	0.5019
Schistosoma mansoni	hypothetical protein	0.0167	1	1
Trichomonas vaginalis	AGC family protein kinase	0.0131	0.7697	1
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0018	0.0495	0.0495
Brugia malayi	Cytochrome P450 family protein	0.0015	0.0305	0.0396

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.001 uM	Inhibition of AKT1	ChEMBL.	20005102
IC50 (binding)	= 0.001 uM	Inhibition of AKT3	ChEMBL.	20005102
IC50 (binding)	= 0.006 uM	Inhibition of AKT2	ChEMBL.	20005102
IC50 (ADMET)	= 0.016 uM	Inhibition of CYP3A4	ChEMBL.	20005102
IC50 (binding)	= 0.064 uM	Inhibition of GSK3-beta phosphorylation in human BT474 cells	ChEMBL.	20005102
IC50 (functional)	= 0.23 uM	Cytotoxicity against human LNCAP cells	ChEMBL.	20005102
IC50 (functional)	= 0.75 uM	Cytotoxicity against human BT474 cells	ChEMBL.	20005102
IC50 (ADMET)	= 6.5 uM	Cytotoxicity against HFF cells	ChEMBL.	20005102
PPB (ADMET)	= 94.3 %	Protein binding in SCID mouse plasma	ChEMBL.	20005102

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23	20005102

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: CHEMBL594933

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1091951