TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 455.53 | Formula: C22H25N5O4S
H donors: 2 H acceptors: 5 LogP: 0.91 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CNC(=O)c1cc2[nH]ccc2c(c1)c1nc(cc(n1)C1(CC1)S(=O)(=O)C)N1CCOCC1
InChi: 1S/C22H25N5O4S/c1-23-21(28)14-11-16(15-3-6-24-17(15)12-14)20-25-18(22(4-5-22)32(2,29)30)13-19(26-20)27-7-9-31-10-8-27/h3,6,11-13,24H,4-5,7-10H2,1-2H3,(H,23,28)
InChiKey: KSYBZGYFUCTFLA-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

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
Leishmania major	phosphatidylinositol 3-related kinase, 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
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	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
Trichomonas vaginalis	PIKK family atypical protein kinase	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
Cryptosporidium hominis	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
Leishmania infantum	phosphatidylinositol 3-related kinase, putative	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
Trypanosoma cruzi	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
Schistosoma japonicum	Serine/threonine-protein kinase ATR, putative	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
Loa Loa (eye worm)	hypothetical 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
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
Loa Loa (eye worm)	phosphatidylinositol 3	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
Cryptosporidium hominis	hypothetical protein	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
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
Leishmania braziliensis	phosphatidylinositol 3-related kinase, 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
Schistosoma japonicum	ko:K06640 ataxia telangiectasia and Rad3 related, putative	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
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	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
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	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	Large-conductance calcium-activated potassium channel Slo-1 (KCNMA) alpha subunit. C. elegans slo-1 ortholog	0.0037	0.2189	0.168
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel\|voltage dependent L type calcium channel subu	0.0037	0.2189	0.168
Brugia malayi	Voltage-gated calcium channel, T-type, alpha subunit. C. elegans cca-1 ortholog	0.0037	0.2189	0.168
Schistosoma mansoni	voltage-gated potassium channel	0.0056	0.3893	0.3396
Schistosoma mansoni	calcium-activated potassium channel	0.0037	0.2189	0.1553
Echinococcus multilocularis	transient receptor potential cation channel	0.0037	0.2189	0.168
Echinococcus granulosus	potassium voltage gated channel subfamily C	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Echinococcus granulosus	hypothetical protein	0.0037	0.2189	0.168
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0048	0.3194	0.264
Echinococcus multilocularis	transient receptor potential gamma protein	0.0037	0.2189	0.168
Loa Loa (eye worm)	voltage-gated calcium channel	0.0037	0.2189	0.2353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Giardia lamblia	GTOR	0.0022	0.0753	0.5
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.0753	0.3439
Echinococcus multilocularis	transient receptor potential cation channel	0.0037	0.2189	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0035	0.1954	0.3347
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0037	0.2189	0.168
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0077	0.5839	1
Echinococcus granulosus	voltage gated hydrogen channel 1	0.0037	0.2189	0.168
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0048	0.3194	0.2856
Echinococcus granulosus	TRP transient receptor potential channel	0.0037	0.2189	0.168
Schistosoma mansoni	voltage-gated ion channel	0.0037	0.2189	0.1553
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0037	0.2189	0.5
Trypanosoma cruzi	inositol 1,4,5-trisphosphate receptor, putative	0.0037	0.2189	0.2549
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.0753	0.3439
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0037	0.2189	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0114	0.9301	1
Echinococcus multilocularis	shaker cognate	0.0037	0.2189	0.168
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.0753	0.3439
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0025	0.1071	0.1834
Brugia malayi	voltage-dependent calcium channel	0.0037	0.2189	0.168
Echinococcus multilocularis	transient receptor potential cation channel	0.0037	0.2189	0.168
Leishmania major	phosphatidylinositol 3-related kinase, putative	0.0035	0.1954	0.8369
Echinococcus granulosus	two pore calcium channel protein 1	0.0037	0.2189	0.168
Echinococcus granulosus	hyperpolarization activated cyclic	0.0048	0.3194	0.2856
Schistosoma mansoni	voltage-gated potassium channel	0.0056	0.3893	0.3396
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus granulosus	Potassium voltage gated channel protein Shaw	0.0037	0.2189	0.168
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Echinococcus granulosus	two pore calcium channel protein 2	0.0037	0.2189	0.168
Echinococcus granulosus	ryanodine receptor 44f	0.0037	0.2189	0.168
Echinococcus granulosus	transient receptor potential cation channel	0.0037	0.2189	0.168
Leishmania major	calcium channel protein, putative,ion transporter, putative	0.0037	0.2189	1
Entamoeba histolytica	Phosphatidylinositol 3- and 4-kinase family	0.0025	0.1071	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0048	0.3194	0.2856
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Schistosoma mansoni	transient receptor potential channel 4	0.0037	0.2189	0.1553
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0048	0.3194	0.547
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit. C. elegans exp-2 ortholog	0.0037	0.2189	0.168
Echinococcus multilocularis	transient receptor potential cation channel	0.0037	0.2189	0.168
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0037	0.2189	0.1553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Echinococcus granulosus	transient receptor potential cation channel	0.0037	0.2189	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit. C. elegans egl-36 ortholog	0.0037	0.2189	0.168
Toxoplasma gondii	3'5'-cyclic nucleotide phosphodiesterase domain-containing protein	0.0037	0.2189	1
Echinococcus multilocularis	voltage gated hydrogen channel 1	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0056	0.3893	0.4186
Brugia malayi	Transient-receptor-potential like protein	0.0037	0.2189	0.168
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0083	0.6385	0.6589
Schistosoma mansoni	ryanodine receptor related	0.0037	0.2189	0.1553
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Echinococcus granulosus	voltage gated potassium channel	0.0037	0.2189	0.168
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0048	0.3194	0.3434
Trypanosoma brucei	inositol 1,4,5-trisphosphate receptor	0.0037	0.2189	1
Echinococcus granulosus	cyclic nucleotide gated cation channel	0.0048	0.3194	0.2856
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0037	0.2189	0.168
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0037	0.2189	0.168
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0035	0.1954	0.893
Echinococcus granulosus	transient receptor potential gamma protein	0.0037	0.2189	0.168
Echinococcus multilocularis	two pore calcium channel protein 1	0.0037	0.2189	0.168
Brugia malayi	hypothetical protein	0.0037	0.2189	0.168
Schistosoma mansoni	60S ribosomal protein L21	0.0045	0.2888	0.2309
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0048	0.3194	0.3434
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Schistosoma mansoni	voltage-dependent calcium channel	0.0037	0.2189	0.1553
Echinococcus multilocularis	short transient receptor potential channel 6	0.0037	0.2189	0.168
Loa Loa (eye worm)	calcium channel	0.0037	0.2189	0.2353
Schistosoma mansoni	transient receptor potential channel	0.0037	0.2189	0.1553
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0037	0.2189	0.1553
Toxoplasma gondii	transporter, cation channel family protein	0.0037	0.2189	1
Echinococcus multilocularis	potassium voltage gated channel protein	0.0037	0.2189	0.168
Loa Loa (eye worm)	voltage-gated potassium channel	0.0037	0.2189	0.2353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus multilocularis	transient receptor potential cation channel	0.0037	0.2189	0.168
Brugia malayi	Voltage-gated potassium channel, Shaw-family (KCNC, Kv3-like) alpha-subunit	0.0037	0.2189	0.168
Echinococcus granulosus	potassium voltage gated channel protein	0.0037	0.2189	0.168
Loa Loa (eye worm)	ryanodine receptor	0.0037	0.2189	0.2353
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus granulosus	transient receptor potential cation channel	0.0037	0.2189	0.168
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Echinococcus granulosus	voltage gated potassium channel	0.0056	0.3893	0.3674
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus granulosus	voltage dependent calcium channel type d subunit\|voltage dependent calcium channel alpha 1	0.0037	0.2189	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0083	0.6385	1
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Onchocerca volvulus		0.0037	0.2189	0.5
Brugia malayi	Cyclic-nucleotide gated cation channel	0.0048	0.3194	0.2856
Echinococcus granulosus	potassium voltage gated channel protein	0.0037	0.2189	0.168
Echinococcus multilocularis	voltage gated potassium channel	0.0037	0.2189	0.168
Echinococcus multilocularis	cyclic nucleotide gated cation channel alpha 3	0.0048	0.3194	0.2856
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0037	0.2189	0.168
Leishmania major	hypothetical protein, unknown function	0.0037	0.2189	1
Brugia malayi	Voltage-gated calcium channel, alpha subunit	0.0037	0.2189	0.168
Echinococcus granulosus	voltage gated sodium channel Nav1 alpha subunit	0.0037	0.2189	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.0753	0.3439
Brugia malayi	Voltage-gated potassium channel, EAG (KCNH1)-related. C. elegans egl-2 ortholog	0.0056	0.3893	0.3674
Loa Loa (eye worm)	cyclic-nucleotide gated cation channel	0.0048	0.3194	0.3434
Echinococcus multilocularis	potassium voltage gated channel protein	0.0037	0.2189	0.168
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0083	0.6385	0.6091
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.0753	0.0809
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0048	0.3194	0.264
Echinococcus granulosus	short transient receptor potential channel 6	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Echinococcus multilocularis	potassium voltage gated channel subfamily A	0.0037	0.2189	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus granulosus	sodium channel protein	0.0037	0.2189	0.168
Toxoplasma gondii	transporter, cation channel family protein	0.0037	0.2189	1
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Echinococcus multilocularis	sodium channel protein	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Brugia malayi	Voltage-gated calcium channel, P/Q-type, alpha subunit. C. elegans unc-2 ortholog	0.0037	0.2189	0.168
Echinococcus multilocularis	voltage dependent calcium channel	0.0037	0.2189	0.168
Toxoplasma gondii	hypothetical protein	0.0037	0.2189	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Loa Loa (eye worm)	voltage-dependent calcium channel	0.0037	0.2189	0.2353
Brugia malayi	Voltage-gated potassium channel, Shab-family (KCNB, Kv2-like) alpha-subunit	0.0037	0.2189	0.168
Echinococcus granulosus	transient receptor potential cation channel	0.0037	0.2189	0.168
Echinococcus multilocularis	voltage gated potassium channel	0.0056	0.3893	0.3674
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0083	0.6385	0.6589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus granulosus	voltage dependent L type calcium channel subunit\|voltage dependent calcium channel	0.0037	0.2189	0.168
Schistosoma mansoni	hyperpolarization activated cyclic nucleotide-gated potassium channel	0.0037	0.2189	0.1553
Echinococcus multilocularis	potassium voltage gated channel subfamily KQT	0.0037	0.2189	0.168
Leishmania major	hypothetical protein, conserved	0.0037	0.2189	1
Echinococcus granulosus	transient receptor potential cation channel	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0103	0.8295	0.8919
Brugia malayi	Ryanodine Receptor TM 4-6 family protein	0.0037	0.2189	0.168
Schistosoma mansoni	voltage-gated potassium channel	0.0045	0.2888	0.2309
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus multilocularis	sodium leak channel non selective protein	0.0037	0.2189	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Schistosoma mansoni	transient receptor potential channel	0.0037	0.2189	0.1553
Brugia malayi	cation channel family protein	0.0037	0.2189	0.168
Echinococcus granulosus	sodium leak channel non selective protein	0.0037	0.2189	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus granulosus	hyperpolarization activated cyclic	0.0048	0.3194	0.2856
Echinococcus multilocularis	voltage dependent calcium channel	0.0037	0.2189	0.168
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Trypanosoma brucei	Voltage-dependent calcium channel subunit, putative	0.0037	0.2189	1
Echinococcus multilocularis	conserved hypothetical protein	0.0037	0.2189	0.168
Echinococcus granulosus	transient receptor potential cation channel	0.0037	0.2189	0.168
Echinococcus multilocularis	ryanodine receptor 44f	0.0037	0.2189	0.168
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0114	0.9301	1
Echinococcus multilocularis	potassium large conductance calcium activated	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0056	0.3893	0.3674
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0083	0.6385	0.6589
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus multilocularis	transfer RNA-Gly	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Echinococcus granulosus	potassium large conductance calcium activated	0.0037	0.2189	0.168
Toxoplasma gondii	transporter, cation channel family protein	0.0037	0.2189	1
Echinococcus granulosus	potassium voltage gated channel subfamily D	0.0037	0.2189	0.168
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0037	0.2189	0.1553
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0048	0.3194	0.264
Echinococcus granulosus	calcium activated potassium channel	0.0037	0.2189	0.168
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0077	0.5839	1
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0048	0.3194	0.264
Brugia malayi	olfactory channel protein osm-9	0.0037	0.2189	0.168
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0114	0.9301	1
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0037	0.2189	0.168
Loa Loa (eye worm)	ion channel NompC	0.0037	0.2189	0.2353
Echinococcus multilocularis	transient receptor potential cation channel	0.0037	0.2189	0.168
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0037	0.2189	0.1553
Echinococcus granulosus	voltage dependent calcium channel	0.0037	0.2189	0.168
Loa Loa (eye worm)	phosphatidylinositol 3	0.0035	0.1954	0.2101
Schistosoma mansoni	calcium channel voltage-dependent p/q type alpha 1a-related	0.0037	0.2189	0.1553
Echinococcus granulosus	potassium voltage gated channel protein	0.0037	0.2189	0.168
Brugia malayi	Voltage-gated potassium channel, Shaker-family (KCNA, Kv1-like) alpha-subunit	0.0037	0.2189	0.168
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0037	0.2189	0.1553
Schistosoma mansoni	voltage-gated cation channel	0.0037	0.2189	0.1553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0114	0.9301	1
Echinococcus granulosus	potassium voltage gated channel subfamily A	0.0037	0.2189	0.168
Toxoplasma gondii	hypothetical protein	0.0037	0.2189	1
Echinococcus multilocularis	voltage dependent L type calcium channel subunit	0.0037	0.2189	0.168
Echinococcus multilocularis	hyperpolarization activated cyclic	0.0048	0.3194	0.2856
Schistosoma mansoni	high voltage-activated calcium channel Cav2A	0.0037	0.2189	0.1553
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Schistosoma mansoni	vesicular amine transporter	0.0037	0.2189	0.1553
Schistosoma mansoni	cyclic-nucleotide-gated cation channel	0.0048	0.3194	0.264
Echinococcus granulosus	potassium voltage gated channel protein	0.0037	0.2189	0.168
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0083	0.6385	1
Schistosoma mansoni	high voltage-activated calcium channel Cav1	0.0037	0.2189	0.1553
Echinococcus granulosus	potassium channel KvQLT family member kqt 1	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Brugia malayi	cation channel family protein	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Echinococcus multilocularis	potassium voltage gated channel subfamily D	0.0037	0.2189	0.168
Echinococcus multilocularis	potassium voltage gated channel protein	0.0037	0.2189	0.168
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0037	0.2189	0.168
Echinococcus granulosus	potassium:sodium hyperpolarization activated	0.0048	0.3194	0.2856
Echinococcus multilocularis	short transient receptor potential channel 6	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Echinococcus multilocularis	potassium:sodium hyperpolarization activated	0.0048	0.3194	0.2856
Schistosoma mansoni	transient receptor potential cation channel subfamily m member	0.0037	0.2189	0.1553
Echinococcus granulosus	shaker cognate	0.0037	0.2189	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Schistosoma mansoni	voltage-gated potassium channel KCNQ	0.0037	0.2189	0.1553
Echinococcus granulosus	voltage dependent calcium channel	0.0037	0.2189	0.168
Echinococcus multilocularis	voltage dependent calcium channel type d subunit	0.0037	0.2189	0.168
Schistosoma mansoni	transient receptor potential channel	0.0037	0.2189	0.1553
Loa Loa (eye worm)	voltage-gated potassium channel	0.0037	0.2189	0.2353
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Echinococcus multilocularis	two pore calcium channel protein 2	0.0037	0.2189	0.168
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Schistosoma mansoni	inositol 145-trisphosphate receptor	0.0037	0.2189	0.1553
Brugia malayi	Voltage-gated calcium channel, L-type, alpha subunit. C. elegans egl-19 ortholog	0.0037	0.2189	0.168
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Brugia malayi	ion channel NompC	0.0037	0.2189	0.168
Echinococcus multilocularis	cyclic nucleotide gated cation channel	0.0048	0.3194	0.2856
Schistosoma mansoni	hypothetical protein	0.0037	0.2189	0.1553
Echinococcus multilocularis	potassium voltage gated channel protein	0.0037	0.2189	0.168
Onchocerca volvulus	Transient receptor potential cation channel trpm homolog	0.0037	0.2189	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0056	0.3893	0.3674
Echinococcus multilocularis	potassium voltage gated channel subfamily C	0.0037	0.2189	0.168
Brugia malayi	Voltage-gated potassium channel, KCNQ (Kv7-like) alpha-subunit. C. elegans kqt-1 ortholog	0.0037	0.2189	0.168
Schistosoma mansoni	two-pore calcium channel	0.0037	0.2189	0.1553
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Echinococcus granulosus	potassium voltage gated channel protein	0.0037	0.2189	0.168
Loa Loa (eye worm)	hypothetical protein	0.0037	0.2189	0.2353
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0048	0.3194	0.547
Schistosoma mansoni	voltage-gated potassium channel	0.0037	0.2189	0.1553
Echinococcus granulosus	short transient receptor potential channel 6	0.0037	0.2189	0.168
Trypanosoma cruzi	Voltage-dependent calcium channel subunit, putative	0.0037	0.2189	0.2549
Echinococcus multilocularis	calcium activated potassium channel	0.0037	0.2189	0.168
Schistosoma mansoni	voltage-gated potassium channel	0.0048	0.3194	0.264
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.0753	0.1289
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.0753	0.3439
Echinococcus granulosus	cyclic nucleotide gated cation channel alpha 3	0.0048	0.3194	0.2856

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 0.14 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)	= 15 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: CHEMBL2325726

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 1727865