TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 349.347 | Formula: C17H15N7O2
H donors: 1 H acceptors: 5 LogP: 1.84 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1cc2c(cc1OC)ncnc2n1nc(nc1N)c1ccccn1
InChi: 1S/C17H15N7O2/c1-25-13-7-10-12(8-14(13)26-2)20-9-21-16(10)24-17(18)22-15(23-24)11-5-3-4-6-19-11/h3-9H,1-2H3,(H2,18,22,23)
InChiKey: ILBRKJBKDGCSCB-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	ATM serine/threonine kinase	Starlite/ChEMBL	References
Homo sapiens	YES proto-oncogene 1, Src family tyrosine kinase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Lyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K04728 ataxia telangectasia mutated family protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Brugia malayi	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Trichomonas vaginalis	PIKK family atypical protein kinase	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Leishmania donovani	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Neospora caninum	phosphatidylinositol 3- and 4-kinase domain- containing protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Leishmania infantum	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma brucei gambiense	phosphatidylinositol kinase domain protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK protein kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Candida albicans	identical to the C terminus of CaP19.5580 potential phosphatidylinositol kinase	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Srms	Get druggable targets OG5_127750	All targets in OG5_127750
Leishmania major	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Entamoeba histolytica	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Entamoeba histolytica	protein kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K08892 fyn-related kinase, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Leishmania mexicana	phosphatidylinositol 3-kinase-like protein	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Leishmania braziliensis	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus multilocularis	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	serine protein kinase ATM	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus multilocularis	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Toxoplasma gondii	FATC domain-containing protein	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase Src64B	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	SRC-1	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Brugia malayi	protein-tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	Get druggable targets OG5_128955	All targets in OG5_128955
Candida albicans	similar to putative phosphatidylinositol kinase involved in telomere length regulation	Get druggable targets OG5_128955	All targets in OG5_128955
Echinococcus granulosus	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	ko:K05703 proto-oncogene tyrosine-protein kinase Fyn, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	hypothetical protein	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	IPR000971,Globin;IPR012292,Globin-related;IPR009050,Globin-like,domain-containing	Get druggable targets OG5_128955	All targets in OG5_128955
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FGR, putative	Get druggable targets OG5_127750	All targets in OG5_127750

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
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0022	0.3536	0.541
Echinococcus multilocularis	tyrosine protein kinase Abl	0.001	0.035	0.035
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.3525	0.3525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0915	0.1365
Schistosoma mansoni	fkbp-rapamycin associated protein	0.0012	0.0915	0.0915
Loa Loa (eye worm)	hypothetical protein	0.0026	0.4609	0.4609
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0915	0.1365
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	1	1
Loa Loa (eye worm)	hypothetical protein	0.0014	0.1301	0.1301
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0915	0.1365
Schistosoma mansoni	tyrosine kinase	0.001	0.035	0.035
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0915	0.1365
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	1	1
Echinococcus multilocularis	FKBP12 rapamycin complex associated protein	0.0022	0.3525	0.3525
Schistosoma mansoni	phosphatidylinositol 3-and 4-kinase	0.0022	0.3525	0.3525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0915	0.1365
Entamoeba histolytica	protein kinase, putative	0.0036	0.7539	1
Echinococcus multilocularis	c src tyrosine kinase	0.001	0.035	0.035
Brugia malayi	FAT domain containing protein	0.001	0.0149	0.0149
Echinococcus multilocularis	phosphatidylinositol 3 and 4 kinase	0.0022	0.3525	0.3525
Schistosoma mansoni	tyrosine kinase	0.0045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	conserved hypothetical protein	0.0014	0.1301	0.2052
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor1	0.0022	0.3525	0.5386
Entamoeba histolytica	hypothetical protein	0.003	0.5761	0.7315
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.001	0.035	0.035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.003	0.5761	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.7539	0.7539
Entamoeba histolytica	phosphatidylinositol3-kinaseTor2, putative	0.0022	0.3525	0.394
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trypanosoma brucei	phosphatidylinositol 4-kinase, putative	0.0022	0.3525	0.4987
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.8435	0.8435
Schistosoma mansoni	ataxia telangiectasia mutated (atm)	0.003	0.5761	0.5761
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Schistosoma mansoni	tyrosine kinase	0.001	0.035	0.035
Loa Loa (eye worm)	phosphatidylinositol 3	0.0022	0.3525	0.3525
Loa Loa (eye worm)	SRC-1	0.0045	1	1
Schistosoma mansoni	hypothetical protein	0.001	0.0149	0.0149
Trypanosoma cruzi	Phosphatidylinositol 3-kinase tor2	0.0022	0.3525	0.5386
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.3525	0.5386
Toxoplasma gondii	target of rapamycin (TOR), putative	0.0022	0.3525	0.4987
Echinococcus granulosus	FKBP12 rapamycin complex associated protein	0.0022	0.3525	0.3525
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.0026	0.4609	0.7623
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.7539	0.7539
Echinococcus granulosus	serine protein kinase ATM	0.003	0.5761	0.5761
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	1	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	1	1
Brugia malayi	protein-tyrosine kinase	0.0041	0.8785	0.8785
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Echinococcus granulosus	tyrosine kinase	0.0041	0.8785	0.8785
Trypanosoma brucei	phosphatidylinositol kinase related protein, putative	0.003	0.5761	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	1	1
Echinococcus granulosus	PIK kinase FAT and Armadillo domain containing protein	0.001	0.0149	0.0149
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.8785	0.8785
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.001	0.035	0.035
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.3525	0.3525
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trypanosoma brucei	target of rapamycin kinase 3, putative	0.0022	0.3525	0.4987
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	1	1
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	1	1
Echinococcus multilocularis	PIK kinase, FAT and Armadillo domain containing protein	0.001	0.0149	0.0149
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	1	1
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.8785	0.8785
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Echinococcus granulosus	phosphatidylinositol 3 and 4 kinase	0.0022	0.3525	0.3525
Trypanosoma cruzi	phosphatidylinositol 3-related kinase, putative	0.0022	0.3525	0.5386
Trypanosoma brucei	phosphatidylinositol 3-kinase, putative	0.0022	0.3525	0.4987
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0022	0.3525	0.3525
Trypanosoma brucei	phosphatidylinositol 3-related kinase, putative	0.0022	0.3525	0.4987
Loa Loa (eye worm)	TK protein kinase	0.0041	0.8785	0.8785
Echinococcus granulosus	serine:threonine protein kinase SMG1	0.0012	0.0915	0.0915
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Trypanosoma cruzi	target of rapamycin kinase 3	0.0022	0.3525	0.5386
Echinococcus granulosus	c src tyrosine kinase	0.001	0.035	0.035
Brugia malayi	Tyrosine-protein kinase abl-1	0.001	0.035	0.035
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0915	0.1365
Schistosoma mansoni	tyrosine kinase	0.0045	1	1
Schistosoma mansoni	ataxia telangiectasia mutated (atm)-related	0.0022	0.3525	0.3525
Giardia lamblia	GTOR	0.0022	0.3525	0.5
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0045	1	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.001	0.035	0.035
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.8435	0.8435
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.0012	0.0915	0.0915
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	1	1
Leishmania major	phosphatidylinositol kinase related protein, putative	0.0022	0.3536	1
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0012	0.0915	0.1365
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	1	1
Trypanosoma cruzi	phosphatidylinositol kinase related protein, putative	0.003	0.5761	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.0149	0.0149
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.8785	0.8785
Toxoplasma gondii	FATC domain-containing protein	0.003	0.5761	1
Echinococcus multilocularis	serine:threonine protein kinase SMG1	0.0012	0.0915	0.0915
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0022	0.3525	0.6016
Echinococcus multilocularis	serine protein kinase ATM	0.003	0.5761	0.5761
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.8785	0.8785
Entamoeba histolytica	FKBP-rapamycin associated protein (FRAP), putative	0.0022	0.3525	0.394
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0915	0.0915
Trichomonas vaginalis	PIKK family atypical protein kinase	0.0014	0.1301	0.2052
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	1	1
Brugia malayi	Phosphatidylinositol 3- and 4-kinase family protein	0.003	0.5761	0.5761
Trypanosoma brucei	Phosphatidylinositol 3-kinase tor1	0.0022	0.3525	0.4987
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.8785	0.8785
Loa Loa (eye worm)	TK protein kinase	0.0036	0.7539	0.7539

Activities

Activity type	Activity value	Assay description	Source	Reference
Cmax (ADMET)	= 4 uM	Cmax in C57BL/6 mouse at 20 mg/kg, iv by UPLC-MS analysis	ChEMBL.	26632965
IC50 (binding)	= 20 nM	Inhibition of flag-tagged ATM (unknown origin) using p53 as substrate by ELISA	ChEMBL.	26632965
IC50 (binding)	= 0.4 uM	Inhibition of ATM kinase in human MCF7 cells after 1 hr by immunofluorescence assay	ChEMBL.	26632965
Potency (functional)	2.7404 uM	PubChem BioAssay. qHTS for small molecule inhibitors of Yes1 kinase: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
PPB (ADMET)	= 86.7 %	Plasma protein binding in human	ChEMBL.	26632965

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: CHEMBL2143829

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 1703475