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: ONc1ccnc2c1ncn2[C@H]1C[C@@H]([C@H](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)/t21-,22+,23+/m0/s1
InChiKey: LLXQLOZUJIZVBJ-YTFSRNRJSA-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
Bos taurus	Adenosine deaminase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Candida albicans	similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Onchocerca volvulus	Adenosine deaminase homolog	Get druggable targets OG5_127245	All targets in OG5_127245
Candida albicans	similar to S. cerevisiae AAH1 (YNL141W) adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Entamoeba histolytica	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Mycobacterium tuberculosis	Probable adenosine deaminase Add (adenosine aminohydrolase)	Get druggable targets OG5_127245	All targets in OG5_127245
Schistosoma mansoni	adenosine deaminase-related	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania braziliensis	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium vivax	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium berghei	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Trichomonas vaginalis	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium falciparum	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Trichomonas vaginalis	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania infantum	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania major	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Brugia malayi	Adenosine/AMP deaminase family protein	Get druggable targets OG5_127245	All targets in OG5_127245
Schistosoma japonicum	ko:K01488 adenosine deaminase [EC3.5.4.4], putative	Get druggable targets OG5_127245	All targets in OG5_127245
Neospora caninum	adenosine/AMP deaminase domain containing protein, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania mexicana	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Neospora caninum	Adenosine deaminase (EC 3.5.4.4), related	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium knowlesi	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Leishmania donovani	adenine aminohydrolase	Get druggable targets OG5_127245	All targets in OG5_127245
Plasmodium yoelii	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Schistosoma mansoni	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Echinococcus granulosus	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Echinococcus multilocularis	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Schistosoma japonicum	ko:K01488 adenosine deaminase [EC3.5.4.4], putative	Get druggable targets OG5_127245	All targets in OG5_127245
Treponema pallidum	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127245	All targets in OG5_127245
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	Get druggable targets OG5_127245	All targets in OG5_127245
Entamoeba histolytica	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Mycobacterium leprae	Probable adenosine deaminase Add (ADENOSINE AMINOHYDROLASE)	Get druggable targets OG5_127245	All targets in OG5_127245
Toxoplasma gondii	Adenosine/AMP deaminase domain-containing protein	Get druggable targets OG5_127245	All targets in OG5_127245
Babesia bovis	adenosine deaminase, putative	Get druggable targets OG5_127245	All targets in OG5_127245
Mycobacterium ulcerans	adenosine deaminase	Get druggable targets OG5_127245	All targets in OG5_127245

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Dictyostelium discoideum	adenosine deaminase-related growth factor	Adenosine deaminase	363 aa	299 aa	25.8 %

Ranking Plot

Putative Targets List

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

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.

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External resources for this compound

ChEMBL: CHEMBL3142249

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1846987