TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 428.505 | Formula: C21H24N4O4S
H donors: 1 H acceptors: 4 LogP: 1.6 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc(c2nc(cc(n2)C2(CC2)S(=O)(=O)C)N2CCOCC2)c2c(c1)[nH]cc2
InChi: 1S/C21H24N4O4S/c1-28-14-11-16(15-3-6-22-17(15)12-14)20-23-18(21(4-5-21)30(2,26)27)13-19(24-20)25-7-9-29-10-8-25/h3,6,11-13,22H,4-5,7-10H2,1-2H3
InChiKey: IORLBXCLALTTBB-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	ATR serine/threonine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania infantum	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Loa Loa (eye worm)	phosphatidylinositol 3	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania mexicana	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania braziliensis	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128386	All targets in OG5_128386
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Babesia bovis	phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	Serine/threonine-protein kinase ATR, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Candida albicans	potential phosphatidylinositol kinase similar to S. cerevisiae MEC1 (YBR136W) involved in DNA repair and recombination	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	ko:K06640 ataxia telangiectasia and Rad3 related, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Cryptosporidium hominis	ataxia telangiectasia and Rad3-related protein	Get druggable targets OG5_128386	All targets in OG5_128386
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Cryptosporidium parvum	FRP1 like protein involved in DNA repair with a FAT domain and a phosphatidylinositol kinase domain at the C-terminus	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania major	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Candida albicans	potential phosphatidylinositol kinase similar to S. cerevisiae MEC1 (YBR136W) involved in DNA repair and recombination	Get druggable targets OG5_128386	All targets in OG5_128386
Neospora caninum	phosphatidylinositol 3- and 4-kinase domain- containing protein, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Leishmania donovani	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	Serine/threonine-protein kinase atr, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Trypanosoma brucei gambiense	phosphatidylinositol 3-related kinase, putative	Get druggable targets OG5_128386	All targets in OG5_128386
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_128386	All targets in OG5_128386
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128386	All targets in OG5_128386

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	Immunoglobulin I-set domain containing protein	0.0081	0.0058	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0201	0.0201
Echinococcus multilocularis	proteasome (prosome, macropain)	0.0961	0.4097	1
Echinococcus granulosus	epidermal growth factor receptor	0.0509	0.2021	0.4932
Echinococcus granulosus	defective proboscis extension response	0.0112	0.0201	0.049
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0078	0.0045	0.0045
Echinococcus granulosus	contactin	0.0114	0.0208	0.0509
Loa Loa (eye worm)	20S proteasome alpha5 subunit	0.0072	0.0019	0.0019
Echinococcus granulosus	hemicentin 1	0.0081	0.0058	0.0142
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0114	0.0208	0.0208
Echinococcus granulosus	neuroglian	0.0114	0.0208	0.0509
Entamoeba histolytica	proteasome subunit beta type 5 precursor, putative	0.0961	0.4097	1
Echinococcus multilocularis	proteasome subunit beta (t family) proteasome (prosome macropain) subunit beta	0.0072	0.0019	0.0046
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0114	0.0208	0.0509
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0072	0.0019	0.0046
Schistosoma mansoni	proteasome subunit alpha 3 (T01 family)	0.0072	0.0019	0.0046
Echinococcus multilocularis	proteasome (prosome macropain) subunit alpha	0.0072	0.0019	0.0046
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0961	0.4097	1
Brugia malayi	Proteasome A-type and B-type family protein	0.0072	0.0019	0.0019
Trypanosoma brucei	proteasome subunit beta type-5, putative	0.0961	0.4097	1
Toxoplasma gondii	proteasome subunit beta type, putative	0.0961	0.4097	1
Schistosoma mansoni	septate junction protein	0.0081	0.0058	0.0142
Loa Loa (eye worm)	proteasome subunit alpha type 1	0.0072	0.0019	0.0019
Schistosoma mansoni	tyrosine kinase	0.0509	0.2021	0.4932
Plasmodium vivax	proteasome subunit beta type-5, putative	0.0961	0.4097	1
Brugia malayi	20S proteasome alpha5 subunit	0.0072	0.0019	0.0019
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0509	0.2021	0.2021
Echinococcus multilocularis	peroxidasin	0.0081	0.0058	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0167	0.0454	0.0454
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0114	0.0208	0.0509
Echinococcus multilocularis	lachesin	0.0081	0.0058	0.0142
Loa Loa (eye worm)	hypothetical protein	0.0157	0.0409	0.0409
Schistosoma mansoni	tyrosine kinase	0.0323	0.1168	0.285
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0112	0.0201	0.049
Schistosoma mansoni	cell adhesion molecule	0.019	0.0559	0.1365
Trypanosoma cruzi	proteasome subunit beta type-5, putative	0.0961	0.4097	1
Echinococcus granulosus	tyrosine protein kinase otk	0.0081	0.0058	0.0142
Brugia malayi	Prion-like-	0.0081	0.0058	0.0058
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0072	0.0019	0.0046
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0083	0.0065	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0058	0.0058
Brugia malayi	Proteasome A-type and B-type family protein	0.0072	0.0019	0.0019
Leishmania major	proteasome beta 5 subunit, putative	0.0961	0.4097	1
Schistosoma mansoni	proteasome catalytic subunit 1 (T01 family)	0.0072	0.0019	0.0046
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0072	0.0019	0.0019
Echinococcus multilocularis		0.0148	0.0367	0.0895
Schistosoma mansoni	titin	0.0081	0.0058	0.0142
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0114	0.0208	0.0208
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0083	0.0065	0.0114
Echinococcus granulosus	proteasome subunit alpha type 6	0.0072	0.0019	0.0046
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0072	0.0019	0.0019
Schistosoma mansoni	tyrosine kinase	0.0347	0.1279	0.3122
Trichomonas vaginalis	Family T1, proteasome beta subunit, threonine peptidase	0.0961	0.4097	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0083	0.0065	0.0065
Echinococcus multilocularis	neuroglian	0.0148	0.0364	0.0888
Schistosoma mansoni	proteasome subunit alpha 4 (T01 family)	0.0072	0.0019	0.0046
Echinococcus multilocularis	hemicentin 1	0.0081	0.0058	0.0142
Wolbachia endosymbiont of Brugia malayi	ATP-dependent protease peptidase subunit	0.0072	0.0019	0.5
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0072	0.0019	0.0019
Schistosoma mansoni	proteasome subunit alpha 6 (T01 family)	0.0072	0.0019	0.0046
Onchocerca volvulus	Tyrosine kinase homolog	0.2126	0.9441	1
Brugia malayi	Furin-like cysteine rich region family protein	0.0509	0.2021	0.2021
Brugia malayi	proteasome subunit alpha type 2	0.0072	0.0019	0.0019
Echinococcus multilocularis	proteasome subunit beta type 7	0.0072	0.0019	0.0046
Echinococcus multilocularis	epidermal growth factor receptor	0.0347	0.1279	0.3122
Echinococcus multilocularis	subfamily T1A non peptidase ue	0.0072	0.0019	0.0046
Schistosoma mansoni	neurotracting/lsamp/neurotrimin/obcam related cell adhesion molecule	0.0081	0.0058	0.0142
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0157	0.0409	0.0998
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0072	0.0019	0.0046
Schistosoma mansoni	proteasome subunit alpha 2 (T01 family)	0.0072	0.0019	0.0046
Schistosoma mansoni	nephrin	0.0114	0.0208	0.0509
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0114	0.0208	0.0208
Plasmodium falciparum	proteasome subunit beta type-5	0.0961	0.4097	1
Loa Loa (eye worm)	hypothetical protein	0.0193	0.0572	0.0572
Schistosoma mansoni	proteasome subunit beta 4 (T01 family)	0.0072	0.0019	0.0046
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0083	0.0065	0.0159
Brugia malayi	Proteasome subunit alpha type 1	0.0072	0.0019	0.0019
Echinococcus granulosus	neuroglian	0.0148	0.0364	0.0888
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0072	0.0019	0.0046
Echinococcus multilocularis	roundabout 2	0.0114	0.0208	0.0509
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0471	0.1847	0.4509
Echinococcus granulosus	epidermal growth factor receptor	0.0347	0.1279	0.3122
Loa Loa (eye worm)	proteasome A-type and B-type family protein	0.0961	0.4097	0.4097
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0072	0.0019	0.0046
Echinococcus granulosus	proteasome prosome macropain subunit alpha	0.0072	0.0019	0.0046
Echinococcus multilocularis	proteasome subunit alpha type 6	0.0072	0.0019	0.0046
Echinococcus granulosus	insulin receptor	0.0438	0.1697	0.4142
Brugia malayi	Proteasome A-type and B-type family protein	0.0961	0.4097	0.4097
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0351	0.0351
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0081	0.0058	0.0058
Brugia malayi	proteasome subunit beta type 2	0.0072	0.0019	0.0019
Echinococcus granulosus	Immunoglobulin	0.0112	0.0201	0.049
Brugia malayi	Peroxidasin	0.0081	0.0058	0.0058
Brugia malayi	Protein kinase domain containing protein	0.0192	0.0565	0.0565
Brugia malayi	proteasome subunit beta type 3	0.0072	0.0019	0.0019
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0072	0.0019	0.0046
Echinococcus multilocularis	roundabout 2	0.0226	0.0722	0.1763
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0351	0.0351
Brugia malayi	proteasome subunit alpha type 4	0.0072	0.0019	0.0019
Echinococcus multilocularis	proteasome (prosome, macropain) subunit, beta	0.0072	0.0019	0.0046
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.0078	0.0045	0.011
Echinococcus granulosus	proteasome prosome macropain subunit beta	0.0072	0.0019	0.0046
Echinococcus granulosus	Proteasome subunit alpha type 7	0.0072	0.0019	0.0046
Loa Loa (eye worm)	hypothetical protein	0.0114	0.0208	0.0208
Loa Loa (eye worm)	proteasome subunit beta type 3	0.0072	0.0019	0.0019
Echinococcus granulosus	Proteasome subunit alpha beta	0.0072	0.0019	0.0046
Schistosoma mansoni	neuroglian	0.0114	0.0208	0.0509
Schistosoma mansoni	tyrosine kinase	0.0105	0.0169	0.0413
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0058	0.0058
Brugia malayi	proteasome subunit beta type 1	0.0072	0.0019	0.0019
Echinococcus granulosus	roundabout 2	0.0114	0.0208	0.0509
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0081	0.0058	0.0058
Schistosoma mansoni	proteasome subunit alpha 1 (T01 family)	0.0072	0.0019	0.0046
Schistosoma mansoni	tyrosine kinase	0.0438	0.1697	0.4142
Brugia malayi	Proteasome subunit alpha type 7-1	0.0072	0.0019	0.0019
Schistosoma mansoni	proteasome subunit beta 2 (T01 family)	0.0072	0.0019	0.0046
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0072	0.0019	0.0046
Mycobacterium tuberculosis	Proteasome beta subunit PrcB; assembles with alpha subunit PrcA.	0.0961	0.4097	1
Echinococcus granulosus	proteasome prosome macropain subunit beta type	0.0072	0.0019	0.0046
Schistosoma mansoni	proteasome catalytic subunit 2 (T01 family)	0.0072	0.0019	0.0046
Schistosoma mansoni	proteasome catalytic subunit 3 (T01 family)	0.0961	0.4097	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0058	0.0058
Brugia malayi	Fibronectin type III domain containing protein	0.0145	0.0351	0.0351
Echinococcus granulosus	proteasome subunit beta type 6	0.0072	0.0019	0.0046
Loa Loa (eye worm)	proteasome subunit beta type 1	0.0072	0.0019	0.0019
Loa Loa (eye worm)	proteasome subunit alpha type 2	0.0072	0.0019	0.0019
Brugia malayi	hypothetical protein	0.0145	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0058	0.0058
Echinococcus multilocularis	proteasome (prosome macropain) subunit beta type	0.0072	0.0019	0.0046
Brugia malayi	Protein kinase domain containing protein	0.0438	0.1697	0.1697
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.0078	0.0045	0.011
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0058	0.0058
Echinococcus multilocularis	epidermal growth factor receptor	0.0509	0.2021	0.4932
Schistosoma mansoni	vesicular amine transporter	0.0112	0.0201	0.049
Brugia malayi	proteasome subunit alpha type 1	0.0072	0.0019	0.0019
Schistosoma mansoni	tyrosine kinase	0.0323	0.1168	0.285
Schistosoma mansoni	septate junction protein	0.0081	0.0058	0.0142
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0145	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0201	0.0201
Echinococcus multilocularis	20S proteasome subunit alpha 6	0.0072	0.0019	0.0046
Echinococcus granulosus	proteasome prosome macropain	0.0961	0.4097	1
Echinococcus multilocularis	Proteasome, subunit alpha beta	0.0072	0.0019	0.0046
Loa Loa (eye worm)	proteasome subunit alpha type 6	0.0072	0.0019	0.0019
Echinococcus granulosus	lachesin	0.0081	0.0058	0.0142
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0114	0.0208	0.0208
Loa Loa (eye worm)	hypothetical protein	0.0193	0.0572	0.0572
Echinococcus granulosus	proteasome subunit alpha type 2	0.0072	0.0019	0.0046
Echinococcus granulosus	subfamily T1A non peptidase ue	0.0072	0.0019	0.0046
Echinococcus multilocularis	insulin receptor	0.0438	0.1697	0.4142
Echinococcus granulosus	proteasome subunit beta type 7	0.0072	0.0019	0.0046
Brugia malayi	proteasome subunit alpha type 3	0.0072	0.0019	0.0019
Schistosoma mansoni	subfamily T1A non-peptidase homologue (T01 family)	0.0072	0.0019	0.0046
Echinococcus granulosus	roundabout 2	0.0226	0.0722	0.1763
Schistosoma mansoni	cell adhesion molecule	0.0081	0.0058	0.0142
Echinococcus multilocularis	roundabout 2	0.0114	0.0208	0.0509
Echinococcus multilocularis	proteasome subunit alpha type 2	0.0072	0.0019	0.0046
Schistosoma mansoni	roundabout	0.0081	0.0058	0.0142
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0347	0.1279	0.3122
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0081	0.0058	0.0058
Loa Loa (eye worm)	proteasome subunit alpha type 7-1	0.0072	0.0019	0.0019
Echinococcus multilocularis	neurotracting:lsamp:neurotrimin:obcam	0.0081	0.0058	0.0142
Schistosoma mansoni	cell adhesion molecule	0.0114	0.0208	0.0509
Echinococcus multilocularis	tyrosine protein kinase otk	0.0081	0.0058	0.0142
Echinococcus granulosus	twitchin	0.0148	0.0364	0.0888
Schistosoma mansoni	cell adhesion molecule	0.0114	0.0208	0.0509
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0083	0.0065	0.0159
Echinococcus granulosus	roundabout 2	0.0114	0.0208	0.0509
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0114	0.0208	0.0509
Mycobacterium leprae	proteasome (beta subunit) PrcB	0.0961	0.4097	1
Echinococcus multilocularis	neuroglian	0.0114	0.0208	0.0509
Loa Loa (eye worm)	proteasome subunit beta type 2	0.0072	0.0019	0.0019
Loa Loa (eye worm)	PAS-3 protein	0.0072	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0145	0.0351	0.0351
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0058	0.0058
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0083	0.0065	0.0159
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0114	0.0208	0.0509
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0081	0.0058	0.0058
Echinococcus granulosus	20S proteasome subunit alpha 6	0.0072	0.0019	0.0046
Schistosoma mansoni	nephrin	0.018	0.0514	0.1255
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0072	0.0019	0.0046
Echinococcus granulosus	proteasome subunit beta t family	0.0072	0.0019	0.0046
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0081	0.0058	0.0058
Echinococcus granulosus	peroxidasin	0.0081	0.0058	0.0142
Mycobacterium ulcerans	proteasome PrcB	0.0961	0.4097	1
Onchocerca volvulus		0.2066	0.9166	0.9709
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0114	0.0208	0.0208
Schistosoma mansoni	tyrosine kinase	0.0438	0.1697	0.4142
Schistosoma mansoni	tyrosine kinase	0.0323	0.1168	0.285
Loa Loa (eye worm)	hypothetical protein	0.0112	0.0201	0.0201
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0081	0.0058	0.0061
Schistosoma mansoni	tyrosine kinase	0.0347	0.1279	0.3122
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0058	0.0058
Echinococcus multilocularis	Immunoglobulin	0.0112	0.0201	0.049
Echinococcus multilocularis	Proteasome subunit alpha type 7	0.0072	0.0019	0.0046
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0112	0.0201	0.049
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0081	0.0058	0.0058
Echinococcus multilocularis	hemicentin 1	0.0081	0.0058	0.0142
Loa Loa (eye worm)	proteasome subunit alpha type 3	0.0072	0.0019	0.0019
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0114	0.0208	0.0509
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0112	0.0201	0.049
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0471	0.1847	0.4509
Giardia lamblia	Proteasome subunit beta type 5 precursor	0.0961	0.4097	1
Brugia malayi	proteasome subunit alpha type 6	0.0072	0.0019	0.0019
Schistosoma mansoni	proteasome subunit beta 1 (T01 family)	0.0072	0.0019	0.0046
Schistosoma mansoni	proteasome subunit alpha 7 (T01 family)	0.0072	0.0019	0.0046
Brugia malayi	Proteasome A-type and B-type family protein	0.0072	0.0019	0.0019
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0072	0.0019	0.0046
Echinococcus multilocularis	proteasome subunit beta type 6	0.0072	0.0019	0.0046
Schistosoma mansoni	proteasome subunit beta 3 (T01 family)	0.0072	0.0019	0.0046
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0078	0.0045	0.0045
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0114	0.0208	0.0509
Onchocerca volvulus	Notchless protein homolog	0.0072	0.0019	0.002
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0081	0.0058	0.0058
Echinococcus multilocularis	Immunoglobulin	0.0112	0.0201	0.049
Loa Loa (eye worm)	TK/INSR protein kinase	0.0438	0.1697	0.1697

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.023 uM	Inhibition of ATR in human HeLa cell nuclear extracts using glutathione S-transferase-p53N66 and ATP as substrate incubated for 10 mins prior to ATP addition measured after 1 hr by ELISA	ChEMBL.	23394205
IC50 (binding)	= 0.8 uM	Inhibition of ATR-mediated CHK1 phosphorylation at serine 345 in human HT29 cells after 1 hr in presence of 4-nitroquinoline 1-oxide	ChEMBL.	23394205

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: CHEMBL2325695

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1728687