TDR Targets

Basic information

Technical information

TDR Targets ID: 315850
Name: 3-[1-[[4-[5-(2-methylpropyl)-6-oxo-3-phenyl-1 H-pyrazin-2-yl]phenyl]methyl]piperidin-4-yl]- 1H-benzimidazol-2-one
MW: 533.663 | Formula: C33H35N5O2
H donors: 2 H acceptors: 5 LogP: 6.19 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: CC(Cc1nc(c2ccccc2)c(nc1O)c1ccc(cc1)CN1CCC(CC1)n1c(O)nc2c1cccc2)C
InChi: 1S/C33H35N5O2/c1-22(2)20-28-32(39)36-31(30(34-28)24-8-4-3-5-9-24)25-14-12-23(13-15-25)21-37-18-16-26(17-19-37)38-29-11-7-6-10-27(29)35-33(38)40/h3-15,22,26H,16-21H2,1-2H3,(H,35,40)(H,36,39)
InChiKey: RJPLOWNWNWVHLW-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

3-[1-[[4-(5-isobutyl-6-oxo-3-phenyl-1H-pyrazin-2-yl)phenyl]methyl]-4-piperidyl]-1H-benzimidazol-2-one
3-[1-[[4-(5-isobutyl-6-oxo-3-phenyl-1H-pyrazin-2-yl)phenyl]methyl]-4-piperidinyl]-1H-benzimidazol-2-one
3-[1-[4-(5-isobutyl-6-keto-3-phenyl-1H-pyrazin-2-yl)benzyl]-4-piperidyl]-1H-benzimidazol-2-one

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	v-akt murine thymoma viral oncogene homolog 2	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Toxoplasma gondii	AGC 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
Trypanosoma brucei gambiense	rac serine-threonine kinase, putative,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
Trichomonas vaginalis	AGC family protein kinase	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
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
Loa Loa (eye worm)	AGC/AKT 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
Trypanosoma cruzi	rac serine-threonine kinase, putative	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	Protein kinase B	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 multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	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
Schistosoma japonicum	ko:K08792 serum/glucocorticoid regulated 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
Schistosoma japonicum	RAC serine/threonine-protein 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
Candida albicans	likely protein kinase similar to S. cerevisiae YPK2 (YMR104C)	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
Echinococcus granulosus	calcium:calmodulin dependent 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	nervana 2	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
Echinococcus multilocularis	rac serine:threonine 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
Trichomonas vaginalis	AGC family 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
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
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
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
Entamoeba histolytica	protein kinase 2, 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
Plasmodium vivax	rac-beta 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
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
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
Trypanosoma cruzi	rac serine-threonine kinase, 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	ko:K07390 monothiol glutaredoxin, putative	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 mansoni	serine/threonine-protein kinase	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
Brugia malayi	Pre-SET motif family protein	0.0208	0.0544	0.0544
Echinococcus multilocularis	serine:threonine protein kinase 38	0.003	0.0001	0.0001
Brugia malayi	Hr1 repeat family protein	0.003	0.0001	0.0001
Echinococcus granulosus	ribosomal protein s6 kinase beta 1	0.003	0.0001	0.0001
Brugia malayi	Protein kinase domain containing protein	0.009	0.0185	0.0185
Echinococcus multilocularis	ribosomal protein S6 kinase alpha 3	0.003	0.0001	0.0001
Schistosoma mansoni	serine/threonine-protein kinase	0.0061	0.0095	0.0095
Chlamydia trachomatis	sulfate transporter	0.0033	0.0008	0.5
Leishmania major	hypothetical protein, conserved	0.0166	0.0416	0.0385
Entamoeba histolytica	protein kinase, putative	0.0088	0.0177	0.0407
Loa Loa (eye worm)	hypothetical protein	0.2814	0.8497	0.8497
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0083	0.0163	0.0163
Echinococcus multilocularis	protein kinase c epsilon type	0.003	0.0001	0.0001
Trypanosoma brucei	rac serine-threonine kinase, putative	0.009	0.0185	0.0177
Plasmodium falciparum	RAC-beta serine/threonine protein kinase	0.0058	0.0087	0.0162
Wolbachia endosymbiont of Brugia malayi	N-acetylglucosamine-1-phosphate uridyltransferase	0.007	0.0124	1
Schistosoma mansoni	carbonic anhydrase-related	0.1631	0.4887	0.4887
Mycobacterium tuberculosis	Probable serine acetyltransferase CysE (sat)	0.007	0.0124	0.0322
Toxoplasma gondii	hypothetical protein	0.1631	0.4887	1
Plasmodium falciparum	carbonic anhydrase	0.1631	0.4887	1
Trypanosoma cruzi	Protein kinase B	0.0061	0.0095	0.0087
Schistosoma mansoni	carbonic anhydrase	0.1448	0.4328	0.4328
Onchocerca volvulus		0.0083	0.0163	0.2574
Echinococcus multilocularis	serine:threonine protein kinase N2	0.003	0.0001	0.0001
Echinococcus multilocularis	carbonic anhydrase	0.1631	0.4887	0.4887
Echinococcus granulosus	calcium:calmodulin dependent protein kinase	0.0058	0.0087	0.0087
Loa Loa (eye worm)	AGC/PKN protein kinase	0.003	0.0001	0.0001
Trichomonas vaginalis	AGC family protein kinase	0.009	0.0185	0.0406
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0061	0.0095	0.0217
Trichomonas vaginalis	AGC family protein kinase	0.009	0.0185	0.0406
Schistosoma mansoni	carbonic anhydrase	0.1631	0.4887	0.4887
Echinococcus granulosus	NDR protein kinase	0.003	0.0001	0.0001
Trichomonas vaginalis	AGC family protein kinase	0.0033	0.0008	0.0017
Onchocerca volvulus		0.0237	0.0632	1
Trichomonas vaginalis	AGC family protein kinase	0.009	0.0185	0.0406
Echinococcus granulosus	sodium:potassium dependent atpase beta subunit	0.0058	0.0085	0.0085
Leishmania major	carbonic anhydrase family protein, putative	0.1448	0.4328	0.431
Entamoeba histolytica	bacterial transferase hexapeptide family protein	0.004	0.0032	0.0072
Schistosoma mansoni	serine/threonine-protein kinase	0.0061	0.0095	0.0095
Echinococcus granulosus	protein kinase c iota type	0.003	0.0001	0.0001
Echinococcus multilocularis	serine threonine protein kinase nrc serine threonine protein kinase gad	0.0058	0.0087	0.0087
Loa Loa (eye worm)	AGC/RSK/MSK protein kinase	0.003	0.0001	0.0001
Echinococcus granulosus	carbonic anhydrase II	0.3307	1	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.0084	0.0084
Onchocerca volvulus		0.0068	0.0115	0.1825
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0001	0.0001
Echinococcus multilocularis	Glutaredoxin protein 5	0.0058	0.0085	0.0085
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0083	0.0163	0.0163
Echinococcus granulosus	serine:threonine protein kinase N2	0.003	0.0001	0.0001
Echinococcus multilocularis	serine:threonine protein kinase N2	0.003	0.0001	0.0001
Mycobacterium ulcerans	transferase	0.0068	0.0115	0.0237
Trichomonas vaginalis	AGC family protein kinase	0.009	0.0185	0.0406
Mycobacterium ulcerans	hypothetical protein	0.004	0.0032	0.0053
Mycobacterium ulcerans	carbonic anhydrase	0.1448	0.4328	0.9547
Onchocerca volvulus	Huntingtin homolog	0.0123	0.0283	0.4476
Mycobacterium tuberculosis	Probable conserved transmembrane protein	0.0236	0.0629	0.2097
Brugia malayi	hypothetical protein	0.0123	0.0283	0.0283
Leishmania major	squalene synthase, putative	0.0533	0.1536	0.1509
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0054	0.0072	0.0072
Echinococcus granulosus	serine/threonine protein kinase	0.0061	0.0095	0.0095
Loa Loa (eye worm)	hypothetical protein	0.1631	0.4887	0.4887
Echinococcus multilocularis	protein kinase c iota type	0.003	0.0001	0.0001
Trichomonas vaginalis	AGC family protein kinase	0.009	0.0185	0.0406
Loa Loa (eye worm)	AGC/NDR protein kinase	0.003	0.0001	0.0001
Trichomonas vaginalis	set domain proteins, putative	0.0237	0.0632	0.1392
Toxoplasma gondii	inorganic anion transporter, sulfate permease (SulP) family protein	0.0033	0.0008	0.0017
Echinococcus granulosus	dynactin 5 p25	0.007	0.0124	0.0124
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.3307	1	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1631	0.4887	0.4887
Wolbachia endosymbiont of Brugia malayi	2,3,4,5-tetrahydropyridine-2,6-carboxylate N-succinyltransferase	0.007	0.0124	1
Echinococcus multilocularis	Ribosomal protein S6 kinase beta 2	0.003	0.0001	0.0001
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1631	0.4887	0.4887
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0061	0.0095	0.0087
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0061	0.0095	0.0217
Trypanosoma cruzi	squalene synthase, putative	0.0533	0.1536	0.1529
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0084	0.0084
Echinococcus multilocularis	carbonic anhydrase	0.1631	0.4887	0.4887
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0283	0.0283
Schistosoma mansoni	serine/threonine kinase	0.003	0.0001	0.0001
Mycobacterium leprae	Probable transmembrane transport protein	0.0236	0.0629	0.1219
Plasmodium vivax	sulfate transporter, putative	0.0033	0.0008	0.094
Entamoeba histolytica	protein kinase, putative	0.009	0.0185	0.0425
Echinococcus multilocularis	Protein kinase C, brain isozyme	0.003	0.0001	0.0001
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0032	0.0024
Echinococcus multilocularis	rac serine:threonine kinase	0.0061	0.0095	0.0095
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0084	0.0084
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0058	0.0087	0.0079
Loa Loa (eye worm)	hypothetical protein	0.0123	0.0283	0.0283
Entamoeba histolytica	carbonic anhydrase, putative	0.1448	0.4328	1
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0001	0.0001
Echinococcus granulosus	protein kinase C gamma type	0.003	0.0001	0.0001
Echinococcus granulosus	L aminoadipate semialdehyde	0.0083	0.0163	0.0163
Trichomonas vaginalis	AGC family protein kinase	0.009	0.0185	0.0406
Brugia malayi	protein kinase C II.	0.003	0.0001	0.0001
Entamoeba histolytica	ankyrin, putative	0.007	0.0124	0.0284
Mycobacterium tuberculosis	Beta-carbonic anhydrase CanB	0.0906	0.2673	0.928
Trichomonas vaginalis	AGC family protein kinase	0.009	0.0185	0.0406
Loa Loa (eye worm)	hypothetical protein	0.003	0.0001	0.0001
Schistosoma mansoni	carbonic anhydrase-related	0.1631	0.4887	0.4887
Echinococcus multilocularis	nervana 2	0.0058	0.0085	0.0085
Echinococcus multilocularis	sodium:potassium dependent atpase beta subunit	0.0058	0.0085	0.0085
Mycobacterium ulcerans	carbonic anhydrase	0.1515	0.4533	1
Echinococcus granulosus	Glutaredoxin protein 5	0.0058	0.0085	0.0085
Trichomonas vaginalis	conserved hypothetical protein	0.0068	0.0115	0.0253
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0084	0.0167
Echinococcus granulosus	nervana 2	0.0058	0.0085	0.0085
Echinococcus granulosus	protein kinase c epsilon type	0.003	0.0001	0.0001
Onchocerca volvulus	Huntingtin homolog	0.0123	0.0283	0.4476
Entamoeba histolytica	protein kinase, putative	0.009	0.0185	0.0425
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.0544	0.0544
Onchocerca volvulus	NADH dehydrogenase (ubiquinone) complex I, assembly factor 6 homolog	0.0166	0.0416	0.6585
Echinococcus granulosus	Squalene phytoene synthase	0.0166	0.0416	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0166	0.0416	0.0416
Echinococcus granulosus	serine threonine protein kinase nrc	0.0058	0.0087	0.0087
Trypanosoma cruzi	hypothetical protein, conserved	0.004	0.0032	0.0024
Loa Loa (eye worm)	AGC/PKC/ETA protein kinase	0.003	0.0001	0.0001
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0001	0.0001
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.3307	1	1
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0057	0.0084	0.0183
Echinococcus granulosus	nervana 2	0.0058	0.0085	0.0085
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1631	0.4887	0.4887
Echinococcus granulosus	carbonic anhydrase	0.1631	0.4887	0.4887
Trypanosoma brucei	hypothetical protein, conserved	0.004	0.0032	0.0024
Mycobacterium tuberculosis	Beta-carbonic anhydrase	0.0973	0.2878	1
Mycobacterium leprae	CARBONIC ANHYDRASE (CARBONATE DEHYDRATASE) (CARBONIC DEHYDRATASE)	0.1448	0.4328	1
Trypanosoma cruzi	phytoene synthase, putative	0.0166	0.0416	0.0408
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0001	0.0001
Loa Loa (eye worm)	carbonic anhydrase 3	0.3307	1	1
Onchocerca volvulus	Putative sulfate transporter	0.0204	0.0532	0.8424
Loa Loa (eye worm)	AGC/DMPK/GEK protein kinase	0.003	0.0001	0.0001
Schistosoma mansoni	microtubule-associated protein tau	0.069	0.2015	0.2015
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0001	0.0001
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1631	0.4887	0.4887
Echinococcus granulosus	carbonic anhydrase	0.1631	0.4887	0.4887
Echinococcus multilocularis	microtubule associated protein 2	0.069	0.2015	0.2015
Echinococcus multilocularis	Squalene phytoene synthase	0.0166	0.0416	0.0416
Schistosoma mansoni	hypothetical protein	0.0166	0.0416	0.0416
Echinococcus multilocularis	ribosomal protein s6 kinase beta 1	0.003	0.0001	0.0001
Echinococcus multilocularis	carbonic anhydrase	0.1631	0.4887	0.4887
Loa Loa (eye worm)	hypothetical protein	0.1631	0.4887	0.4887
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.3307	1	1
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0057	0.0084	0.0052
Loa Loa (eye worm)	AGC/AKT protein kinase	0.009	0.0185	0.0185
Trypanosoma cruzi	squalene synthase, putative	0.0533	0.1536	0.1529
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0057	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0163	0.0163
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0001	0.0001
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1631	0.4887	0.4887
Echinococcus multilocularis	serine threonine protein kinase	0.003	0.0001	0.0001
Echinococcus multilocularis	nervana 2	0.0058	0.0085	0.0085
Schistosoma mansoni	serine/threonine protein kinase	0.003	0.0001	0.0001
Giardia lamblia	Kinase, AGC PKA	0.0058	0.0087	0.5
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0083	0.0163	0.0163
Echinococcus granulosus	carbonic anhydrase	0.1631	0.4887	0.4887
Trypanosoma brucei	squalene synthase, putative	0.0533	0.1536	0.1529
Echinococcus granulosus	ribosomal protein S6 kinase alpha 3	0.003	0.0001	0.0001
Echinococcus granulosus	Ribosomal protein S6 kinase beta 2	0.003	0.0001	0.0001
Brugia malayi	Protein kinase domain containing protein	0.003	0.0001	0.0001
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1631	0.4887	0.4887
Trichomonas vaginalis	maltose O-acetyltransferase, putative	0.0068	0.0115	0.0253
Trypanosoma brucei	carbonic anhydrase-like protein	0.3307	1	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0084	0.0167
Entamoeba histolytica	protein kinase 2, putative	0.0058	0.0087	0.02
Plasmodium vivax	rac-beta serine/threonine protein kinase, putative	0.0058	0.0087	1
Schistosoma mansoni	atypical protein kinase C	0.003	0.0001	0.0001
Brugia malayi	Protein kinase domain containing protein	0.003	0.0001	0.0001
Mycobacterium tuberculosis	Probable phytoene synthase PhyA	0.0166	0.0416	0.1349
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.3307	1	1
Echinococcus multilocularis	carbonic anhydrase II	0.3307	1	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.3307	1	1
Mycobacterium tuberculosis	Probable transmembrane carbonic anhydrase (carbonate dehydratase) (carbonic dehydratase)	0.0778	0.2284	0.7912
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.3307	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.1515	0.4533	1
Brugia malayi	p70 ribosomal S6 kinase beta	0.0088	0.0177	0.0177
Schistosoma mansoni	hypothetical protein	0.1631	0.4887	0.4887
Schistosoma mansoni	carbonic anhydrase-related	0.1631	0.4887	0.4887
Loa Loa (eye worm)	AGC/RSK/RSK protein kinase	0.003	0.0001	0.0001
Loa Loa (eye worm)	AGC/RSK/P70 protein kinase	0.0088	0.0177	0.0177
Onchocerca volvulus		0.0204	0.0532	0.8424
Echinococcus granulosus	Protein kinase C brain isozyme	0.003	0.0001	0.0001
Entamoeba histolytica	acetyltransferase, putative	0.007	0.0124	0.0284
Mycobacterium ulcerans	phytoene synthase, CrtB	0.0166	0.0416	0.0901
Toxoplasma gondii	AGC kinase	0.0088	0.0177	0.0362
Leishmania major	carbonic anhydrase-like protein	0.3307	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.1515	0.4533	1
Echinococcus granulosus	microtubule associated protein 2	0.069	0.2015	0.2015

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 325 nM	Inhibitory concentration against Akt2 kinase	ChEMBL.	15686884
IC50 (binding)	= 325 nM	Inhibitory concentration against human Protein kinase B, Akt2	ChEMBL.	15664853
IC50 (binding)	> 20000 nM	Inhibitory concentration against Akt1 kinase	ChEMBL.	15686884
IC50 (binding)	> 20000 nM	Inhibitory concentration against Akt3 kinase	ChEMBL.	15686884
IC50 (binding)	> 20000 nM	Inhibitory concentration against Akt1 kinase	ChEMBL.	15686884
IC50 (binding)	> 20000 nM	Inhibitory concentration against Akt3 kinase	ChEMBL.	15686884
IC50 (binding)	= 21200 nM	Inhibitory concentration against human Protein kinase B, alpha	ChEMBL.	15664853
IC50 (binding)	= 21870 nM	Inhibitory concentration against human Protein kinase B, Akt3	ChEMBL.	15664853

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: CHEMBL178468
PubChem: 10152761

Bibliographic References

2 literature references were collected for this gene.

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Detailed information for compound 315850