TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 492.575 | Formula: C28H28N8O
H donors: 4 H acceptors: 4 LogP: 5.31 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(Nc1cc(nn1c1cccc(c1)N)C(C)(C)C)Nc1cccc(c1)Nc1ncnc2c1cccc2
InChi: 1S/C28H28N8O/c1-28(2,3)24-16-25(36(35-24)21-11-6-8-18(29)14-21)34-27(37)33-20-10-7-9-19(15-20)32-26-22-12-4-5-13-23(22)30-17-31-26/h4-17H,29H2,1-3H3,(H,30,31,32)(H2,33,34,37)
InChiKey: VAPRWSMRTJIVDQ-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	v-kit Hardy-Zuckerman 4 feline sarcoma viral oncogene homolog	Starlite/ChEMBL	References
Homo sapiens	ABL proto-oncogene 1, non-receptor tyrosine kinase	Starlite/ChEMBL	References
Homo sapiens	discoidin domain receptor tyrosine kinase 2	Starlite/ChEMBL	References
Gallus gallus	Tyrosine-protein kinase SRC	Starlite/ChEMBL	References
Homo sapiens	discoidin domain receptor tyrosine kinase 1	Starlite/ChEMBL	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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma mansoni	tyrosine kinase	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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FGR, putative	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
Entamoeba histolytica	protein kinase, putative	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
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Tyrosine-protein kinase transforming protein Abl, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	expressed protein	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus multilocularis	tyrosine protein kinase Fyn	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
Echinococcus granulosus	tyrosine protein kinase Src42A	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 granulosus	tyrosine kinase\|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 japonicum	expressed protein	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	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
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase ABL1	Get druggable targets OG5_131234	All targets in OG5_131234
Onchocerca volvulus		Get druggable targets OG5_130314	All targets in OG5_130314
Loa Loa (eye worm)	TK/DDR protein kinase	Get druggable targets OG5_130314	All targets in OG5_130314
Echinococcus granulosus	tyrosine protein kinase Lyn	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, putative	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine protein kinase HCK	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase ABL1, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Loa Loa (eye worm)	TK protein 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
Loa Loa (eye worm)	TK protein kinase	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130314	All targets in OG5_130314
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_130314	All targets in OG5_130314
Echinococcus granulosus	tyrosine protein kinase Fyn	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
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	tyrosine protein kinase ABL1	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Brugia malayi	SRC-1	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
Brugia malayi	Tyrosine-protein kinase abl-1	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	tyrosine protein kinase Fyn	Get druggable targets OG5_127750	All targets in OG5_127750
Loa Loa (eye worm)	TK/ABL protein kinase	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	discoidin domain receptor	Get druggable targets OG5_130314	All targets in OG5_130314
Brugia malayi	Protein kinase domain containing protein	Get druggable targets OG5_130314	All targets in OG5_130314
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
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	Get druggable targets OG5_132967	All targets in OG5_132967
Brugia malayi	protein-tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus multilocularis	tyrosine protein kinase Abl	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma japonicum	Tyrosine-protein kinase transforming protein Abl, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus multilocularis	tyrosine protein kinase Srms	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 Fgr	Get druggable targets OG5_127750	All targets in OG5_127750

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	tyrosine protein kinase Btk29A	Tyrosine-protein kinase SRC	533 aa	500 aa	35.0 %
Echinococcus granulosus	c src tyrosine kinase	Tyrosine-protein kinase SRC	533 aa	513 aa	33.7 %
Schistosoma mansoni	tyrosine kinase	Tyrosine-protein kinase SRC	533 aa	501 aa	35.3 %
Echinococcus granulosus	tyrosine protein kinase ABL1	Tyrosine-protein kinase SRC	533 aa	473 aa	39.5 %
Echinococcus multilocularis	tyrosine protein kinase ABL1	Tyrosine-protein kinase SRC	533 aa	473 aa	39.1 %
Onchocerca volvulus		Tyrosine-protein kinase SRC	533 aa	435 aa	27.4 %
Brugia malayi	Tyrosine-protein kinase abl-1	Tyrosine-protein kinase SRC	533 aa	455 aa	44.4 %
Echinococcus multilocularis	c src tyrosine kinase	Tyrosine-protein kinase SRC	533 aa	513 aa	33.9 %
Echinococcus multilocularis	tyrosine protein kinase Btk29A	Tyrosine-protein kinase SRC	533 aa	500 aa	35.0 %
Echinococcus multilocularis	tyrosine protein kinase Abl	Tyrosine-protein kinase SRC	533 aa	506 aa	36.6 %
Onchocerca volvulus	Cyclin-H homolog	Tyrosine-protein kinase SRC	533 aa	453 aa	44.8 %
Schistosoma mansoni	serine/threonine protein kinase	Tyrosine-protein kinase SRC	533 aa	473 aa	24.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0556	0.0815	0.0815
Brugia malayi	MBOAT family protein	0.0556	0.0815	0.0792
Brugia malayi	Protein kinase domain containing protein	0.0271	0.037	0.0346
Loa Loa (eye worm)	hypothetical protein	0.0237	0.0318	0.0318
Brugia malayi	MBOAT family protein	0.0556	0.0815	0.0792
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0043	0.0016	0.0016
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0556	0.0815	0.0815
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0556	0.0815	1
Schistosoma mansoni	tyrosine kinase	0.0057	0.0037	0.0037
Leishmania major	hypothetical protein, conserved	0.0556	0.0815	0.5
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0106	0.0106
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0556	0.0815	0.0815
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0057	0.0037	0.0037
Loa Loa (eye worm)	MBOAT family protein	0.0556	0.0815	0.0815
Mycobacterium tuberculosis	Possible arabinofuranosyltransferase AftD	0.0033	0	0.5
Leishmania major	glycerol uptake protein, putative	0.0556	0.0815	0.5
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0556	0.0815	0.0815
Toxoplasma gondii	hypothetical protein	0.0556	0.0815	1
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0556	0.0815	0.0815
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0556	0.0815	0.0815
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0057	0.0037	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0556	0.0815	1
Echinococcus multilocularis	zinc finger protein	0.5897	0.9134	0.9134
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0556	0.0815	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0057	0.0037	0.0037
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0556	0.0815	0.0815
Echinococcus granulosus	discoidin domain receptor	0.0265	0.0361	0.0361
Schistosoma mansoni	tyrosine kinase	0.0255	0.0345	0.0345
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0057	0.0037	0.0037
Schistosoma mansoni	hypothetical protein	0.0556	0.0815	0.0815
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.6453	1	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0263	0.0358	0.0358
Trypanosoma cruzi	glycerol uptake protein, putative	0.0556	0.0815	0.5
Loa Loa (eye worm)	MBOAT family protein	0.6453	1	1
Echinococcus granulosus	macrophage colony stimulating factor 1 receptor	0.0672	0.0996	0.0996
Trichomonas vaginalis	conserved hypothetical protein	0.0556	0.0815	1
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0556	0.0815	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0049	0.0025	0.0025
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0556	0.0815	0.0815
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0556	0.0815	0.0815
Leishmania major	glycerol uptake protein, putative	0.0556	0.0815	0.5
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0043	0.0016	0.0016
Trypanosoma cruzi	glycerol uptake protein, putative	0.0556	0.0815	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0049	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0556	0.0815	0.0815
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0057	0.0037	0.0037
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0556	0.0815	0.0815
Trypanosoma brucei	glycerol uptake protein, putative	0.0556	0.0815	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0057	0.0037	0.0037
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0556	0.0815	0.0815
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0556	0.0815	1
Brugia malayi	SRC-1	0.0057	0.0037	0.0012
Schistosoma mansoni	zinc finger protein	0.6453	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0057	0.0037	0.0037
Trichomonas vaginalis	conserved hypothetical protein	0.0556	0.0815	1
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.6453	1	1
Echinococcus granulosus	zinc finger protein	0.5897	0.9134	0.9134
Leishmania major	glycerol uptake protein, putative	0.0556	0.0815	0.5
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0556	0.0815	0.0815
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0556	0.0815	0.0815
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0057	0.0037	0.0037
Mycobacterium leprae	PROBABLE CONSERVED TRANSMEMBRANE PROTEIN	0.0033	0	0.5
Trichomonas vaginalis	transmembrane protein nessy, putative	0.0556	0.0815	1
Echinococcus granulosus	tyrosine kinase	0.0049	0.0025	0.0025
Loa Loa (eye worm)	TK/DDR protein kinase	0.0237	0.0318	0.0318
Entamoeba histolytica	hypothetical protein, conserved	0.0556	0.0815	1
Brugia malayi	MBOAT family protein	0.0556	0.0815	0.0792
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0556	0.0815	0.0815
Brugia malayi	Hhat protein	0.0556	0.0815	0.0792
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0057	0.0037	0.0037
Echinococcus granulosus	tyrosine protein kinase Blk	0.0049	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0556	0.0815	0.0815
Brugia malayi	MBOAT family protein	0.0556	0.0815	0.0792
Schistosoma mansoni	sterol O-acyltransferase 1	0.0556	0.0815	0.0815
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0057	0.0037	0.0037
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0057	0.0037	0.0037
Loa Loa (eye worm)	hypothetical protein	0.0556	0.0815	0.0815
Trypanosoma brucei	glycerol uptake protein, putative	0.0556	0.0815	0.5
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0263	0.0358	0.0358
Loa Loa (eye worm)	TK/ABL protein kinase	0.0263	0.0358	0.0358
Leishmania major	glycerol uptake protein, putative	0.0556	0.0815	0.5
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0041	0.0012	0.0012
Loa Loa (eye worm)	SRC-1	0.0057	0.0037	0.0037
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0556	0.0815	0.0815
Trichomonas vaginalis	porcupine, putative	0.0556	0.0815	1
Treponema pallidum	alginate O-acetylation protein (algI)	0.0556	0.0815	0.5
Brugia malayi	Tyrosine-protein kinase abl-1	0.0154	0.0188	0.0164
Toxoplasma gondii	acyl-CoA:cholesterol acyltransferase alpha ACAT1-alpha	0.0556	0.0815	1
Loa Loa (eye worm)	MBOAT family protein	0.0556	0.0815	0.0815
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0556	0.0815	0.0815
Echinococcus multilocularis	sterol O acyltransferase 1	0.0556	0.0815	0.0815
Trypanosoma cruzi	GUP1, putative	0.0556	0.0815	0.5
Entamoeba histolytica	vacuolar protein sorting 26	0.0556	0.0815	1
Schistosoma mansoni	tyrosine kinase	0.0057	0.0037	0.0037
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0556	0.0815	0.0815
Entamoeba histolytica	hypothetical protein	0.0556	0.0815	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0117	0.0131	0.0131
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0556	0.0815	0.0815
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0057	0.0037	0.0037
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0049	0.0025	0.0025
Loa Loa (eye worm)	hypothetical protein	0.0265	0.0361	0.0361
Echinococcus granulosus	tyrosine protein kinase HCK	0.0041	0.0012	0.0012
Echinococcus granulosus	sterol O acyltransferase 1	0.0556	0.0815	0.0815
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0556	0.0815	0.0815
Brugia malayi	diacylglycerol acyltransferase	0.0556	0.0815	0.0792
Loa Loa (eye worm)	TK protein kinase	0.0041	0.0012	0.0012
Trypanosoma cruzi	GUP1, putative	0.0556	0.0815	0.5
Loa Loa (eye worm)	hypothetical protein	0.0556	0.0815	0.0815
Loa Loa (eye worm)	TK protein kinase	0.0049	0.0025	0.0025
Toxoplasma gondii	acyl-CoA:diacylglycerol acyltransferase 1-related enzyme	0.0556	0.0815	1
Loa Loa (eye worm)	hhat protein	0.0556	0.0815	0.0815
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0556	0.0815	1
Loa Loa (eye worm)	hhat protein	0.0556	0.0815	0.0815
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0057	0.0037	0.0037
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0556	0.0815	0.0815
Onchocerca volvulus		0.0271	0.037	0.454
Brugia malayi	Tyrosine-protein kinase abl-1	0.0117	0.0131	0.0106
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0049	0.0025	0.0025
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0057	0.0037	0.0037
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0057	0.0037	0.0037
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0556	0.0815	0.0815
Leishmania major	glycerol uptake protein, putative	0.0556	0.0815	0.5
Trypanosoma cruzi	glycerol uptake protein, putative	0.0556	0.0815	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0057	0.0037	0.0037
Onchocerca volvulus		0.0556	0.0815	1
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0556	0.0815	0.0815
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0057	0.0037	0.0037

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 23 nM	Inhibition of human wild-type ABL (Ser229 to Gln513)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay	ChEMBL.	23773153
IC50 (binding)	= 30.1 nM	Inhibition of wild-type cKIT (unknown origin)-mediated phosphorylation of biotinylated poly-Glu-Tyr preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay	ChEMBL.	23773153
IC50 (binding)	= 304 nM	Inhibition of chicken wild-type cSRC (251 to 533)-mediated phosphorylation of biotinylated poly-Glu-Tyr expressed in Escherichia coli BL21(DE3) preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay	ChEMBL.	23773153
IC50 (binding)	= 0.002 uM	Inhibition of wild type DDR2 (unknown origin) preincubated for 30 mins before substrate addition by FRET assay	ChEMBL.	24754677
IC50 (binding)	= 0.075 uM	Inhibition of DDR2 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP	ChEMBL.	24754677
IC50 (binding)	= 0.235 uM	Inhibition of DDR1 (unknown origin) after 120 mins by radiometric assay in presence of gamma-[33P]-ATP	ChEMBL.	24754677
Inhibition (binding)		Inhibition of cKIT V559D/T670I double mutant (unknown origin)-mediated phosphorylation of biotinylated poly-Glu-Tyr at 100 uM preincubated for 30 to 60 mins prior to substrate addition by TR-FRET assay	ChEMBL.	23773153
Kd (binding)	> 1 uM	Binding affinity to human acrylodan-labeled N-terminal His-tagged DDR2 (558 to 855 aa) by FLiK assay	ChEMBL.	24754677

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: CHEMBL2403875

Bibliographic References

2 literature references were 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 1777011