TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 446.498 | Formula: C25H26N4O4
H donors: 2 H acceptors: 3 LogP: 4.44 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: ONc1ccnc2c1ncn2C1CC(C(O1)COc1ccc(cc1)C)Oc1ccc(cc1)C
InChi: 1S/C25H26N4O4/c1-16-3-7-18(8-4-16)31-14-22-21(32-19-9-5-17(2)6-10-19)13-23(33-22)29-15-27-24-20(28-30)11-12-26-25(24)29/h3-12,15,21-23,30H,13-14H2,1-2H3,(H,26,28)
InChiKey: LLXQLOZUJIZVBJ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Trichomonas vaginalis	conserved hypothetical protein	0.1129	0.1789	0.819
Echinococcus multilocularis	cyclin dependent kinase 1	0.0153	0.0143	0.0143
Brugia malayi	Protein kinase domain containing protein	0.0085	0.003	0.0121
Schistosoma mansoni	serine/threonine protein kinase	0.0143	0.0127	0.0313
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0324	0.0431	0.6519
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0604	0.0903	0.3248
Giardia lamblia	Phosphoinositide-3-kinase, class 3	0.0263	0.0329	0.1777
Trypanosoma cruzi	glycogen synthase kinase 3, putative	0.0441	0.0629	0.2458
Entamoeba histolytica	adenosine deaminase, putative	0.0104	0.006	0.0143
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.0143	0.0391
Onchocerca volvulus		0.0494	0.0718	0.9843
Trypanosoma cruzi	polo-like protein kinase, putative	0.0324	0.0431	0.1489
Leishmania major	glycogen synthase kinase, putative;with=GeneDB:LinJ18_V3.0270	0.0441	0.0629	1
Treponema pallidum	adenosine deaminase	0.0104	0.006	0.5
Leishmania major	protein kinase A catalytic subunit isoform 2	0.0143	0.0127	0.1169
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0195	0.0214	0.0214
Brugia malayi	hypothetical protein	0.0101	0.0056	0.0229
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0182	0.0193	0.0193
Loa Loa (eye worm)	CMGC/CDK/CDK5 protein kinase	0.0153	0.0143	0.0514
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0182	0.0193	0.0193
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0195	0.0214	0.0214
Leishmania major	cell division protein kinase 2,cdc2-related kinase	0.0153	0.0143	0.1452
Entamoeba histolytica	protein kinase, putative	0.0441	0.0629	0.2801
Toxoplasma gondii	AGC kinase	0.0143	0.0127	0.1169
Schistosoma mansoni	tyrosine kinase	0.074	0.1132	0.3546
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.0143	0.0391
Brugia malayi	cAMP-dependent protein kinase catalytic subunit, putative	0.0143	0.0127	0.052
Trichomonas vaginalis	AGC family protein kinase	0.0143	0.0127	0.0315
Entamoeba histolytica	protein kinase domain containing protein	0.0441	0.0629	0.2801
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0195	0.0214	0.0214
Schistosoma mansoni	tyrosine kinase	0.0195	0.0214	0.0592
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0101	0.0056	0.0085
Giardia lamblia	Kinase, PLK	0.0324	0.0431	0.2681
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0324	0.0431	0.1876
Echinococcus multilocularis	enhancer of mRNA decapping protein 4	0.0132	0.0109	0.0109
Echinococcus granulosus	c-Jun N-terminal kinases	0.0776	0.1193	0.1193
Echinococcus multilocularis	cyclin dependent kinase	0.0153	0.0143	0.0143
Brugia malayi	SH2 domain containing protein	0.0085	0.003	0.0121
Schistosoma mansoni	serine/threonine protein kinase	0.0153	0.0143	0.0365
Brugia malayi	Protein kinase domain containing protein	0.1513	0.2437	1
Brugia malayi	phosphatidylinositol 4-kinase, catalytic, alpha polypeptide	0.0221	0.0257	0.1056
Plasmodium vivax	protein kinase Crk2	0.0153	0.0143	0.1452
Schistosoma mansoni	tyrosine kinase	0.0098	0.005	0.0066
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0324	0.0431	0.0431
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0182	0.0193	0.0193
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0195	0.0214	0.0214
Schistosoma mansoni	tyrosine kinase	0.0791	0.1219	0.3828
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0324	0.0431	0.5745
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0221	0.0257	0.0638
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0195	0.0214	0.0214
Loa Loa (eye worm)	hypothetical protein	0.0111	0.0073	0.0262
Echinococcus multilocularis	Immunoglobulin	0.0101	0.0056	0.0056
Trichomonas vaginalis	phosphatidylinositol 4-kinase, putative	0.0221	0.0257	0.0933
Mycobacterium tuberculosis	Probable anthranilate phosphoribosyltransferase TrpD	0.1694	0.274	0.2696
Toxoplasma gondii	cell-cycle-associated protein kinase CDK, putative	0.0153	0.0143	0.1452
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0221	0.0257	0.3461
Brugia malayi	Protein kinase domain containing protein	0.0085	0.003	0.0121
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Echinococcus granulosus	rho-associated protein kinase 1	0.0494	0.0718	0.0718
Brugia malayi	Protein kinase domain containing protein	0.0153	0.0143	0.0587
Trypanosoma cruzi	cdc2-related kinase 1	0.0153	0.0143	0.0079
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0143	0.0127	0.0456
Brugia malayi	Adenosine/AMP deaminase family protein	0.0104	0.006	0.0247
Echinococcus granulosus	tyrosine protein kinase Srms	0.0085	0.003	0.003
Echinococcus granulosus	cyclin dependent kinase 1	0.0153	0.0143	0.0143
Trypanosoma brucei	polo-like protein kinase	0.0324	0.0431	0.6058
Schistosoma mansoni	vesicular amine transporter	0.0101	0.0056	0.0085
Onchocerca volvulus		0.0459	0.0659	0.9
Mycobacterium ulcerans	anthranilate phosphoribosyltransferase	0.1694	0.274	0.2696
Leishmania major	cell division related protein kinase 2,cdc2-related kinase	0.0153	0.0143	0.1452
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0153	0.0143	0.0514
Loa Loa (eye worm)	hypothetical protein	0.007	0.0003	0.0012
Trichomonas vaginalis	CAMK family protein kinase	0.0324	0.0431	0.1758
Trichomonas vaginalis	conserved hypothetical protein	0.1129	0.1789	0.819
Loa Loa (eye worm)	AGC/DMPK/ROCK protein kinase	0.1513	0.2437	0.8766
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Trichomonas vaginalis	CAMK family protein kinase	0.0324	0.0431	0.1758
Trichomonas vaginalis	conserved hypothetical protein	0.1129	0.1789	0.819
Brugia malayi	serine/threonine-protein kinase plk-2	0.0324	0.0431	0.177
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0098	0.005	0.0066
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0143	0.0127	0.0454
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0098	0.005	0.005
Plasmodium vivax	phosphatidylinositol 3-kinase, putative	0.0221	0.0257	0.3461
Echinococcus multilocularis	phosphatidylinositol 4 kinase alpha	0.0221	0.0257	0.0257
Brugia malayi	SRC-1	0.0195	0.0214	0.0876
Trichomonas vaginalis	CAMK family protein kinase	0.0165	0.0164	0.0491
Brugia malayi	Protein kinase domain containing protein	0.0085	0.003	0.0121
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0143	0.0127	0.0127
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0104	0.006	0.0217
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0433	0.0616	0.2632
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0433	0.0616	0.1886
Echinococcus multilocularis	cyclin dependent kinase 5	0.0153	0.0143	0.0143
Onchocerca volvulus		0.0483	0.07	0.9582
Onchocerca volvulus		0.0441	0.0629	0.8578
Trichomonas vaginalis	CAMK family protein kinase	0.0324	0.0431	0.1758
Echinococcus granulosus	cyclin dependent kinase	0.0153	0.0143	0.0143
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit gamma, putative	0.1356	0.2171	1
Mycobacterium leprae	Probable anthranilate phosphoribosyltransferase TrpD	0.1694	0.274	1
Echinococcus granulosus	twitchin	0.012	0.0087	0.0087
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0149	0.0136	0.0136
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0205	0.0232	0.0232
Leishmania major	phosphatidylinositol 4-kinase alpha, putative	0.0221	0.0257	0.3461
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0604	0.0903	0.3706
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.1356	0.2171	0.8912
Brugia malayi	Fibronectin type III domain containing protein	0.0101	0.0056	0.0229
Trypanosoma cruzi	cdc2-related kinase 1	0.0153	0.0143	0.0079
Entamoeba histolytica	cell division protein kinase 2, putative	0.0153	0.0143	0.0529
Leishmania major	protein kinase A catalytic subunit	0.0143	0.0127	0.1169
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0098	0.005	0.005
Trichomonas vaginalis	CAMK family protein kinase	0.0324	0.0431	0.1758
Schistosoma mansoni	serine/threonine protein kinase	0.0153	0.0143	0.0365
Trichomonas vaginalis	conserved hypothetical protein	0.1129	0.1789	0.819
Echinococcus granulosus	tyrosine protein kinase Blk	0.0182	0.0193	0.0193
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0182	0.0193	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0597	0.0891	0.3205
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0143	0.0127	0.0127
Plasmodium vivax	cAMP-dependent protein kinase catalytic subunit, putative	0.0143	0.0127	0.1169
Loa Loa (eye worm)	hypothetical protein	0.007	0.0003	0.0012
Schistosoma mansoni	glycogen synthase kinase 3-related (gsk3) (cmgc group III)	0.0441	0.0629	0.193
Trypanosoma cruzi	cdc2-related kinase 3	0.0153	0.0143	0.0079
Brugia malayi	Protein kinase domain containing protein	0.0085	0.003	0.0121
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0085	0.003	0.003
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0195	0.0214	0.0214
Echinococcus granulosus	phosphatidylinositol 4 kinase alpha	0.0221	0.0257	0.0257
Schistosoma mansoni	phosphatidylinositol 4-kinase	0.0221	0.0257	0.0732
Loa Loa (eye worm)	hypothetical protein	0.007	0.0003	0.0012
Entamoeba histolytica	phosphatidylinositol 3-kinase 1, putative	0.1306	0.2087	0.9606
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0101	0.0056	0.0085
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0143	0.0127	0.0127
Echinococcus multilocularis	thymidine phosphorylase	0.6001	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0195	0.0214	0.0214
Onchocerca volvulus	Adenosine deaminase homolog	0.0104	0.006	0.0439
Entamoeba histolytica	hypothetical protein	0.1143	0.1813	0.8325
Trichomonas vaginalis	CMGC family protein kinase	0.0441	0.0629	0.2696
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.076	0.1166	0.4785
Schistosoma mansoni	tyrosine kinase	0.0098	0.005	0.0066
Echinococcus granulosus	enhancer of mRNA decapping protein 4	0.0132	0.0109	0.0109
Trypanosoma brucei	cdc2-related kinase 1	0.0153	0.0143	0.032
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0085	0.003	0.003
Echinococcus multilocularis	protein kinase shaggy	0.0441	0.0629	0.0629
Schistosoma mansoni	serine/threonine protein kinase	0.0776	0.1193	0.3742
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0433	0.0616	0.2528
Echinococcus multilocularis	Zinc finger, PHD finger	0.0221	0.0257	0.0257
Loa Loa (eye worm)	hypothetical protein	0.0142	0.0125	0.0449
Entamoeba histolytica	phosphatidylinositol-4,5-bisphosphate 3-kinase, putative	0.0221	0.0257	0.1063
Leishmania major	phosphatidylinositol 3-kinase, putative	0.0221	0.0257	0.3461
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0098	0.005	0.005
Loa Loa (eye worm)	phosphatidylinositol 4-kinase type 3 alpha isoform 1	0.0221	0.0257	0.0926
Giardia lamblia	Kinase, CMGC CDK	0.0153	0.0143	0.0142
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0143	0.0127	0.0127
Loa Loa (eye worm)	TK protein kinase	0.0182	0.0193	0.0694
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0221	0.0257	0.0933
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0086	0.031
Entamoeba histolytica	protein kinase, putative	0.0131	0.0106	0.0354
Trypanosoma brucei	protein kinase, putative	0.0441	0.0629	1
Giardia lamblia	Kinase, CMGC GSK	0.0441	0.0629	0.4425
Entamoeba histolytica	cell division protein kinase 2, putative	0.0153	0.0143	0.0529
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.0221	0.0257	0.0732
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1356	0.2171	1
Echinococcus multilocularis	c src tyrosine kinase	0.0098	0.005	0.005
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0195	0.0214	0.0214
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0195	0.0214	0.0214
Echinococcus granulosus	5'partial\|cyclin dependent kinase 1	0.0153	0.0143	0.0143
Entamoeba histolytica	adenosine deaminase, putative	0.0104	0.006	0.0143
Trypanosoma brucei	phosphatidylinositol 4-kinase alpha, putative	0.0221	0.0257	0.2595
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0441	0.0629	0.2265
Echinococcus granulosus	tyrosine protein kinase shark	0.0791	0.1219	0.1219
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.0433	0.0616	0.2632
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0195	0.0214	0.0214
Loa Loa (eye worm)	phosphatidylinositol 3	0.0383	0.0531	0.1912
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0324	0.0431	0.1552
Echinococcus multilocularis	glycogen synthase kinase 3 beta	0.0441	0.0629	0.0629
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Brugia malayi	Protein kinase domain containing protein	0.0085	0.003	0.0121
Loa Loa (eye worm)	CMGC/MAPK/JNK protein kinase	0.0776	0.1193	0.4291
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0056	0.0201
Echinococcus granulosus	roundabout 2	0.0119	0.0086	0.0086
Loa Loa (eye worm)	hypothetical protein	0.007	0.0003	0.0012
Onchocerca volvulus	Tyrosine kinase homolog	0.05	0.0729	1
Trichomonas vaginalis	CMGC family protein kinase	0.0441	0.0629	0.2696
Trypanosoma cruzi	polo-like protein kinase, putative	0.0324	0.0431	0.1489
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0056	0.0201
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0195	0.0214	0.0214
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.103	0.1621	0.7395
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0111	0.0073	0.0073
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0143	0.0127	0.0127
Brugia malayi	phosphoinositide 3'-hydroxykinase p110-alpha subunit, putative	0.0574	0.0852	0.3498
Trypanosoma cruzi	cdc2-related kinase 3	0.0153	0.0143	0.0079
Loa Loa (eye worm)	AGC/PKA protein kinase	0.0143	0.0127	0.0456
Echinococcus granulosus	phosphatidylinositol 45 bisphosphate 3 kinase	0.193	0.3138	0.3138
Toxoplasma gondii	AGC kinase	0.0143	0.0127	0.1169
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0149	0.0136	0.0136
Trichomonas vaginalis	phopsphatidylinositol 3-kinase, drosophila, putative	0.1356	0.2171	1
Trichomonas vaginalis	CAMK family protein kinase	0.0324	0.0431	0.1758
Loa Loa (eye worm)	TK protein kinase	0.0131	0.0106	0.038
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0433	0.0616	0.2738
Trichomonas vaginalis	conserved hypothetical protein	0.1129	0.1789	0.819
Brugia malayi	intracellular kinase	0.0441	0.0629	0.2583
Schistosoma mansoni	serine/threonine protein kinase	0.0143	0.0127	0.0313
Trichomonas vaginalis	phosphatidylinositol 3-kinase catalytic subunit alpha, beta, delta, putative	0.0433	0.0616	0.2632
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0547	0.0807	0.3631
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0195	0.0214	0.0214
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0195	0.0214	0.0214
Entamoeba histolytica	phosphatidylinositol 4-kinase, putative	0.0221	0.0257	0.1063
Schistosoma mansoni	serine/threonine protein kinase	0.0324	0.0431	0.1292
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0085	0.003	0.003
Giardia lamblia	Kinase, CMGC CDK	0.0153	0.0143	0.0142
Schistosoma mansoni	tyrosine kinase	0.0195	0.0214	0.0592
Loa Loa (eye worm)	TK/ABL protein kinase	0.0085	0.003	0.0106
Giardia lamblia	Kinase, CMGC GSK	0.0441	0.0629	0.4425
Brugia malayi	cell division control protein 2 homolog	0.0153	0.0143	0.0587
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0086	0.031
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0056	0.0201
Loa Loa (eye worm)	hypothetical protein	0.0143	0.0127	0.0456
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0195	0.0214	0.0214
Trypanosoma cruzi	phosphatidylinositol 3-kinase, putative	0.0383	0.0531	0.1979
Trypanosoma cruzi	phosphatidylinositol 3-kinase vps34-like	0.0433	0.0616	0.2392
Echinococcus granulosus	adenosine deaminase	0.0104	0.006	0.006
Plasmodium vivax	glycogen synthase kinase 3, putative	0.0441	0.0629	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Echinococcus granulosus	phosphatidylinositol 3 kinase catalytic subunit	0.0221	0.0257	0.0257
Schistosoma mansoni	serine/threonine protein kinase	0.0143	0.0127	0.0313
Schistosoma mansoni	kinase	0.0169	0.0171	0.0455
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1356	0.2171	1
Echinococcus multilocularis	adenosine deaminase	0.0104	0.006	0.006
Loa Loa (eye worm)	phosphatidylinositol 3	0.1717	0.2779	1
Trichomonas vaginalis	CAMK family protein kinase	0.0324	0.0431	0.1758
Echinococcus granulosus	neuroglian	0.0109	0.0069	0.0069
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.0221	0.0257	0.0933
Brugia malayi	SH2 domain containing protein	0.0085	0.003	0.0121
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Brugia malayi	Tyrosine-protein kinase abl-1	0.0098	0.005	0.0206
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0143	0.0127	0.0454
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0056	0.0201
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.5683	0.9465	0.9465
Echinococcus granulosus	protein kinase shaggy	0.0441	0.0629	0.0629
Mycobacterium tuberculosis	Probable thymidine phosphorylase DeoA (tdrpase) (pyrimidine phosphorylase)	0.6001	1	1
Schistosoma mansoni	adenosine deaminase	0.0104	0.006	0.0099
Schistosoma mansoni	phosphatidylinositol-45-bisphosphate 3-kinase catalytic subunit alpha PI3K	0.193	0.3138	1
Echinococcus multilocularis	phosphatidylinositol 4 phosphate 3 kinase C2	0.076	0.1166	0.1166
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.1143	0.1813	0.8325
Giardia lamblia	Phosphoinositide-3-kinase, catalytic, alpha polypeptide	0.0817	0.1263	1
Mycobacterium ulcerans	thymidine phosphorylase	0.6001	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.1129	0.1789	0.819
Echinococcus granulosus	tyrosine kinase	0.0182	0.0193	0.0193
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0131	0.0106	0.0106
Entamoeba histolytica	phosphatidylinositol 3-kinase, putative	0.0433	0.0616	0.2738
Echinococcus multilocularis	tyrosine protein kinase shark	0.0791	0.1219	0.1219
Echinococcus granulosus	tm gpcr rhodopsin	0.5683	0.9465	0.9465
Loa Loa (eye worm)	hypothetical protein	0.076	0.1166	0.4195
Schistosoma mansoni	cell adhesion molecule	0.0111	0.0073	0.0139
Trichomonas vaginalis	CAMK family protein kinase	0.0165	0.0164	0.0491
Trichomonas vaginalis	hypothetical protein	0.1129	0.1789	0.819
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0101	0.0056	0.0229
Entamoeba histolytica	protein kinase domain containing protein	0.0441	0.0629	0.2801
Echinococcus granulosus	Immunoglobulin	0.0101	0.0056	0.0056
Brugia malayi	protein-tyrosine kinase	0.0182	0.0193	0.0792
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0433	0.0616	0.9731
Leishmania major	protein kinase A catalytic subunit isoform 1	0.0143	0.0127	0.1169
Loa Loa (eye worm)	TK/FER protein kinase	0.0085	0.003	0.0106
Loa Loa (eye worm)	hypothetical protein	0.0085	0.003	0.0106
Plasmodium falciparum	phosphatidylinositol 3-kinase	0.0221	0.0257	0.3461
Trichomonas vaginalis	CMGC family protein kinase	0.0153	0.0143	0.0391
Trypanosoma cruzi	phosphatidylinositol 4-kinase alpha, putative	0.0221	0.0257	0.0638
Echinococcus multilocularis	Immunoglobulin	0.0101	0.0056	0.0056
Brugia malayi	hypothetical protein	0.0085	0.003	0.0121
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0056	0.0201
Echinococcus granulosus	tyrosine protein kinase HCK	0.0131	0.0106	0.0106
Echinococcus granulosus	defective proboscis extension response	0.0101	0.0056	0.0056
Trypanosoma brucei	cdc2-related kinase 3	0.0153	0.0143	0.032
Plasmodium falciparum	protein kinase 5	0.0153	0.0143	0.1452
Schistosoma mansoni	nephrin	0.0109	0.0069	0.0127
Schistosoma mansoni	serine/threonine protein kinase	0.0494	0.0718	0.2214
Toxoplasma gondii	cell-cycle-associated protein kinase GSK, putative	0.0441	0.0629	1
Plasmodium falciparum	glycogen synthase kinase 3	0.0441	0.0629	1
Toxoplasma gondii	phosphatidylinositol 3- and 4-kinase	0.0221	0.0257	0.3461
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0195	0.0214	0.0214
Echinococcus multilocularis	neuroglian	0.0109	0.0069	0.0069
Echinococcus multilocularis	phosphatidylinositol 4,5 bisphosphate 3 kinase	0.193	0.3138	0.3138
Echinococcus multilocularis	roundabout 2	0.0119	0.0086	0.0086
Echinococcus granulosus	tyrosine kinase	0.0085	0.003	0.003
Trypanosoma cruzi	phosphatidylinositol 3-kinase 2, putative	0.1356	0.2171	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0195	0.0214	0.0214
Brugia malayi	Stress-activated protein kinase jnk-1	0.0776	0.1193	0.4895
Plasmodium falciparum	cAMP-dependent protein kinase catalytic subunit	0.0143	0.0127	0.1169
Echinococcus multilocularis	tyrosine kinase	0.0085	0.003	0.003
Echinococcus granulosus	glycogen synthase kinase 3 beta	0.0441	0.0629	0.0629
Echinococcus multilocularis	c Jun NH2 terminal kinase	0.0776	0.1193	0.1193
Echinococcus granulosus	c src tyrosine kinase	0.0098	0.005	0.005
Echinococcus multilocularis	rho associated protein kinase	0.0494	0.0718	0.0718
Echinococcus multilocularis	cAMP dependent protein kinase catalytic subunit	0.0143	0.0127	0.0127
Trichomonas vaginalis	phosphatidylinositol kinase, putative	0.1356	0.2171	1
Loa Loa (eye worm)	SRC-1	0.0195	0.0214	0.0768
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0101	0.0056	0.0056
Echinococcus multilocularis	cyclin dependent kinase 1	0.0153	0.0143	0.0143
Echinococcus granulosus	phosphatidylinositol 4 phosphate 3 kinase C2	0.076	0.1166	0.1166
Loa Loa (eye worm)	CMGC/GSK protein kinase	0.0441	0.0629	0.2265
Echinococcus granulosus	cyclin dependent kinase 5	0.0153	0.0143	0.0143
Trichomonas vaginalis	CAMK family protein kinase	0.0324	0.0431	0.1758
Loa Loa (eye worm)	CMGC/CDK/CDC2 protein kinase	0.0153	0.0143	0.0514
Trichomonas vaginalis	conserved hypothetical protein	0.1129	0.1789	0.819
Echinococcus granulosus	cAMP dependent protein kinase catalytic subunit	0.0143	0.0127	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0056	0.0201
Trichomonas vaginalis	phosphatidylinositol 3-kinase class, putative	0.103	0.1621	0.7395
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0085	0.003	0.003
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0324	0.0431	0.0431
Schistosoma mansoni	adenosine deaminase-related	0.0104	0.006	0.0099
Toxoplasma gondii	protein kinase, cAMP-dependent, catalytic chain	0.0143	0.0127	0.1169

Activities

Activity type	Activity value	Assay description	Source	Reference
ID50 (functional)	= 16.9 uM	Compound was tested for its antitumor activity to inhibit 50% of tumor cell growth in mouse leukemia P388 cell lines.	ChEMBL.	2066996
ID50 (functional)	= 22.5 uM	Compound was tested for its antitumor activity to inhibit 50% of tumor cell growth in mouse leukemia L1210 cell lines.	ChEMBL.	2066996
Ki (binding)	= 0.0000053 M	Compound was tested for the inhibition of Adenosine deaminase from calf intestine.	ChEMBL.	2066996

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: 214027

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 117007