TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 540.585 | Formula: C26H26F2N6O3S
H donors: 3 H acceptors: 6 LogP: 3.82 Rotable bonds: 8
Rule of 5 violations (Lipinski): 2
SMILES: Fc1ccc(c(c1c1cc(C)c2c(c1)nnc(n2)Nc1ccc(cc1)S(=O)(=O)NCCN1CCCC1)F)O
InChi: 1S/C26H26F2N6O3S/c1-16-14-17(23-20(27)8-9-22(35)24(23)28)15-21-25(16)31-26(33-32-21)30-18-4-6-19(7-5-18)38(36,37)29-10-13-34-11-2-3-12-34/h4-9,14-15,29,35H,2-3,10-13H2,1H3,(H,30,31,33)
InChiKey: GPTPEUDRFUOZSX-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	ABL proto-oncogene 1, non-receptor tyrosine kinase	Starlite/ChEMBL	References
Homo sapiens	SRC proto-oncogene, non-receptor tyrosine kinase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FGR, putative	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 protein kinase Fyn	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
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
Brugia malayi	protein-tyrosine kinase	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
Echinococcus multilocularis	tyrosine protein kinase ABL1	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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, 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
Echinococcus multilocularis	tyrosine protein kinase Abl	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	tyrosine protein kinase Lyn	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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, putative	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	proto oncogene tyrosine protein kinase LCK	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	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
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
Echinococcus multilocularis	tyrosine protein kinase Src42A	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
Echinococcus multilocularis	tyrosine protein kinase Fyn	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 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 multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	Get druggable targets OG5_127750	All targets in OG5_127750
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 granulosus	tyrosine protein kinase Blk	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	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
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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase FYN, putative	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	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
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_131234	All targets in OG5_131234
Brugia malayi	Tyrosine-protein kinase abl-1	Get druggable targets OG5_131234	All targets in OG5_131234
Echinococcus granulosus	tyrosine protein kinase Src42A	Get druggable targets OG5_127750	All targets in OG5_127750
Echinococcus granulosus	tyrosine kinase	Get druggable targets OG5_127750	All targets in OG5_127750
Schistosoma mansoni	tyrosine kinase	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
Echinococcus multilocularis	tyrosine protein kinase Blk	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
Schistosoma japonicum	Tyrosine-protein kinase transforming protein Abl, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase ABL1, putative	Get druggable targets OG5_131234	All targets in OG5_131234
Schistosoma mansoni	tyrosine kinase	Get druggable targets OG5_131234	All targets in OG5_131234

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 brucei	dihydrofolate reductase-thymidylate synthase	0.0067	0.023	0.2452
Trichomonas vaginalis	nh(3)-dependent NAD(+) synthetase, putative	0.0084	0.032	0.1444
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0108	0.045	0.5426
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0108	0.045	0.5426
Brugia malayi	Dihydrofolate reductase	0.0176	0.0815	0.129
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0043	0.0102	0.0156
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0041	0.009	0.0868
Mycobacterium ulcerans	NAD synthetase	0.0084	0.032	0.0273
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0041	0.009	0.2233
Trichomonas vaginalis	alpha-glucosidase, putative	0.0171	0.0787	0.4365
Loa Loa (eye worm)	alpha-L-fucosidase	0.0771	0.4016	0.6501
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0147	0.0237
Toxoplasma gondii	Amylo-alpha-1,6-glucosidase	0.0128	0.0556	0.6973
Brugia malayi	SRC-1	0.0054	0.0157	0.0222
Treponema pallidum	NAD synthetase	0.0084	0.032	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0054	0.0157	0.0246
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0176	0.0815	0.0659
Loa Loa (eye worm)	hypothetical protein	0.0121	0.0516	0.0836
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0023	0.0038
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0121	0.0516	0.5138
Trypanosoma brucei	glucosidase, putative	0.0171	0.0787	1
Echinococcus multilocularis	lysosomal alpha glucosidase	0.1173	0.6177	1
Echinococcus granulosus	tyrosine kinase	0.0046	0.0114	0.0176
Schistosoma mansoni	tyrosine kinase	0.0251	0.122	0.2034
Echinococcus granulosus	lamin dm0	0.0053	0.0152	0.0238
Echinococcus granulosus	fucosidase alpha L 1 tissue	0.0771	0.4016	0.6498
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0053	0.0152	0.0246
Echinococcus multilocularis	musashi	0.0053	0.0152	0.0238
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0128	0.0556	0.2918
Trypanosoma cruzi	glycosyl hydrolase-like protein, putative	0.0121	0.0516	0.5138
Trichomonas vaginalis	alpha-glucosidase, putative	0.0121	0.0516	0.267
Trichomonas vaginalis	alpha-glucosidase, putative	0.0121	0.0516	0.267
Brugia malayi	Pre-SET motif family protein	0.0029	0.0023	0.0005
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0029	0.0023	0.003
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0067	0.023	0.6671
Loa Loa (eye worm)	SRC-1	0.0054	0.0157	0.0254
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.0787	1
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.026	0.1264	0.204
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0054	0.0157	0.0246
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0171	0.0787	0.4365
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0023	0.003
Toxoplasma gondii	glutamine-dependent NAD(+) synthetase protein, putative	0.0084	0.032	0.3889
Leishmania major	NAD synthase, putative	0.0084	0.032	0.3676
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0041	0.009	0.0868
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0201	0.0949	0.1537
Brugia malayi	GMP synthase	0.0034	0.0049	0.0047
Chlamydia trachomatis	dihydrofolate reductase	0.0176	0.0815	0.5
Onchocerca volvulus		0.0229	0.1099	0.2455
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.1173	0.6177	1
Brugia malayi	acetyltransferase, GNAT family protein	0.014	0.0621	0.0976
Echinococcus granulosus	lysosomal alpha glucosidase	0.1173	0.6177	1
Mycobacterium ulcerans	alpha-L-fucosidase	0.0771	0.4016	0.3986
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0152	0.0246
Trichomonas vaginalis	alpha-glucosidase, putative	0.0121	0.0516	0.267
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0171	0.0787	0.1275
Plasmodium vivax	glutamine-dependent NAD(+) synthetase, putative	0.0084	0.032	1
Brugia malayi	NC domain containing protein	0.0039	0.008	0.0098
Schistosoma mansoni	tyrosine kinase	0.0054	0.0157	0.0227
Brugia malayi	Tyrosine-protein kinase abl-1	0.0154	0.0696	0.1097
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0108	0.045	0.3939
Brugia malayi	Intermediate filament tail domain containing protein	0.0053	0.0152	0.0214
Schistosoma mansoni	GMP synthetase	0.0034	0.0049	0.0044
Echinococcus granulosus	tyrosine protein kinase Blk	0.0046	0.0114	0.0176
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0108	0.045	0.3939
Loa Loa (eye worm)	TK protein kinase	0.0038	0.007	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0049	0.008
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0171	0.0787	1
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0338	0.1688	1
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0054	0.0157	0.0246
Echinococcus granulosus	neutral alpha glucosidase AB	0.0171	0.0787	0.1267
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0054	0.0157	0.0246
Brugia malayi	hypothetical protein	0.0118	0.0501	0.078
Brugia malayi	dihydrofolate reductase family protein	0.0176	0.0815	0.129
Trypanosoma cruzi	hypothetical protein, conserved	0.0171	0.0787	1
Trypanosoma cruzi	cysteine peptidase, Clan CA, family C2, putative	0.0108	0.045	0.3939
Loa Loa (eye worm)	dihydrofolate reductase	0.0176	0.0815	0.1319
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0054	0.0157	0.0246
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0176	0.0815	1
Schistosoma mansoni	glutamine-dependent NAD(+) synthetase	0.0084	0.032	0.0505
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.045	0.5426
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0041	0.009	0.0137
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0067	0.023	0.2452
Echinococcus multilocularis	dihydrofolate reductase	0.0176	0.0815	0.1311
Echinococcus granulosus	tyrosine protein kinase HCK	0.0038	0.007	0.0105
Mycobacterium ulcerans	arylamine N-acetyltransferase Nat	0.1884	1	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0055	0.0166	0.0118
Trypanosoma brucei	hypothetical protein	0.0108	0.045	0.5426
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0171	0.0787	0.4365
Loa Loa (eye worm)	hypothetical protein	0.0128	0.0556	0.09
Brugia malayi	Amylo-alpha-1,6-glucosidase family protein	0.0128	0.0556	0.087
Trichomonas vaginalis	alpha-glucosidase, putative	0.0171	0.0787	0.4365
Plasmodium falciparum	histone acetyltransferase GCN5	0.0038	0.0071	0.0817
Entamoeba histolytica	NAD synthetase, putative	0.0084	0.032	0.3492
Schistosoma mansoni	tyrosine kinase	0.0054	0.0157	0.0227
Loa Loa (eye worm)	amylo-alpha-1,6-glucosidase	0.0062	0.0203	0.0329
Echinococcus multilocularis	GMP synthase (glutamine hydrolyzing)	0.0034	0.0049	0.0071
Toxoplasma gondii	bifunctional GMP synthase/glutamine amidotransferase protein	0.0034	0.0049	0.0337
Trypanosoma cruzi	NAD+ synthase, putative	0.0084	0.032	0.1622
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0054	0.0157	0.0246
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0055	0.0166	0.0261
Trypanosoma brucei	calpain, putative	0.0108	0.045	0.5426
Brugia malayi	follicle stimulating hormone receptor	0.0224	0.1071	0.1707
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0114	0.048	0.0769
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0055	0.0166	0.0243
Leishmania major	calpain-like cysteine peptidase, putative,cysteine peptidase, Clan CA, family C2, putative	0.0108	0.045	0.5426
Schistosoma mansoni	alpha-glucosidase	0.1123	0.5906	1
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0055	0.0166	0.0237
Giardia lamblia	NH3-dependent NAD+ synthetase	0.0084	0.032	0.514
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0171	0.0787	1
Onchocerca volvulus		0.0053	0.0152	0.0293
Brugia malayi	hypothetical protein	0.0029	0.0023	0.0004
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0224	0.1071	0.1735
Echinococcus granulosus	glycogen debranching enzyme	0.0128	0.0556	0.0893
Trichomonas vaginalis	alpha-glucosidase, putative	0.0171	0.0787	0.4365
Trypanosoma cruzi	calpain cysteine peptidase, putative	0.0108	0.045	0.3939
Brugia malayi	Pre-SET motif family protein	0.0201	0.0949	0.1509
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.045	0.5426
Schistosoma mansoni	hypothetical protein	0.0395	0.1993	0.3348
Echinococcus multilocularis	dnaJ subfamily B	0.0395	0.1993	0.3221
Brugia malayi	protein-tyrosine kinase	0.0046	0.0114	0.0152
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0055	0.0166	0.1588
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.0146	0.0237
Brugia malayi	Tyrosine-protein kinase abl-1	0.0114	0.048	0.0746
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0067	0.023	0.2706
Brugia malayi	Glycosyl hydrolases family 31 protein	0.1173	0.6177	1
Trypanosoma cruzi	NAD+ synthase, putative	0.0084	0.032	0.1622
Echinococcus multilocularis	fucosidase, alpha L 1, tissue	0.0771	0.4016	0.6498
Schistosoma mansoni	intermediate filament proteins	0.0053	0.0152	0.0218
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0054	0.0157	0.0246
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0171	0.0787	0.1267
Echinococcus granulosus	intermediate filament protein	0.0053	0.0152	0.0238
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0043	0.0102	0.0156
Echinococcus granulosus	dihydrofolate reductase	0.0176	0.0815	0.1311
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0055	0.0166	0.0118
Echinococcus multilocularis	lamin dm0	0.0053	0.0152	0.0238
Echinococcus granulosus	lamin	0.0053	0.0152	0.0238
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0054	0.0157	0.0246
Trypanosoma cruzi	calpain-like cysteine peptidase, putative	0.0108	0.045	0.3939
Plasmodium vivax	GMP synthetase, putative	0.0034	0.0049	0.0866
Trypanosoma brucei	variant surface glycoprotein (VSG), putative	0.0108	0.045	0.5426
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0171	0.0787	1
Schistosoma mansoni	alpha-l-fucosidase	0.0771	0.4016	0.6787
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0054	0.0157	0.0246
Brugia malayi	intermediate filament protein	0.0053	0.0152	0.0214
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0121	0.0516	0.267
Leishmania major	glycosyl hydrolase-like protein	0.0121	0.0516	0.6331
Echinococcus multilocularis	glycogen debranching enzyme	0.0128	0.0556	0.0893
Loa Loa (eye worm)	hypothetical protein	0.0306	0.1516	0.2455
Trypanosoma brucei	NAD+ synthase, putative	0.0084	0.032	0.3676
Trypanosoma brucei	calpain-like protein, putative	0.0108	0.045	0.5426
Schistosoma mansoni	lamin	0.0053	0.0152	0.0218
Echinococcus granulosus	dnaJ subfamily B	0.0395	0.1993	0.3221
Plasmodium falciparum	glutamine-dependent NAD(+) synthetase, putative	0.0084	0.032	1
Loa Loa (eye worm)	TK/ABL protein kinase	0.026	0.1264	0.2046
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0393	0.0636
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0046	0.0114	0.0176
Onchocerca volvulus	UPF0528 protein homolog	0.0039	0.008	0.013
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0055	0.0166	0.0261
Leishmania major	alpha glucosidase II subunit, putative	0.0171	0.0787	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0054	0.0157	0.0246
Echinococcus granulosus	expressed protein	0.0361	0.1807	0.292
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0121	0.0516	0.267
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0028	0.0018	0.002
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.045	0.5426
Trichomonas vaginalis	conserved hypothetical protein	0.0066	0.0221	0.0823
Trichomonas vaginalis	glycogen debranching enzyme, putative	0.0128	0.0556	0.2918
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0136	0.06	0.0964
Brugia malayi	Alpha-L-fucosidase family protein	0.0771	0.4016	0.649
Trichomonas vaginalis	set domain proteins, putative	0.0229	0.1099	0.6314
Schistosoma mansoni	glutamine-dependent NAD(+) synthetase	0.005	0.014	0.0198
Trypanosoma brucei	glycosyl hydrolase-like protein	0.0121	0.0516	0.6331
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0046	0.0114	0.0176
Entamoeba histolytica	acetyltransferase, GNAT family	0.0038	0.0071	0.0018
Echinococcus multilocularis	lamin	0.0053	0.0152	0.0238
Schistosoma mansoni	hypothetical protein	0.0092	0.0365	0.0581
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0054	0.0157	0.0246
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0121	0.0516	0.0806
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0054	0.0157	0.0246
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.014	0.0621	0.0998
Loa Loa (eye worm)	acetyltransferase	0.014	0.0621	0.1006
Mycobacterium tuberculosis	Glutamine-dependent NAD(+) synthetase NadE (NAD(+) synthase [glutamine-hydrolysing])	0.0084	0.032	0.0157
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0046	0.0114	0.0176
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0171	0.0787	0.4365
Giardia lamblia	4-alpha-glucanotransferase, amylo-alpha-1,6-glucosidase	0.0128	0.0556	1
Echinococcus granulosus	tyrosine protein kinase ABL1	0.026	0.1264	0.204
Echinococcus multilocularis	expressed protein	0.0361	0.1807	0.292
Trichomonas vaginalis	alpha-glucosidase, putative	0.0171	0.0787	0.4365
Echinococcus multilocularis	lysosomal alpha glucosidase	0.1173	0.6177	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0054	0.0157	0.0246
Onchocerca volvulus	Uncharacterized family 31 glucosidase KIAA1161 homolog	0.0121	0.0516	0.1126
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0029	0.0023	0.003
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.045	0.5426
Echinococcus granulosus	GMP synthase glutamine hydrolyzing	0.0034	0.0049	0.0071
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0054	0.0157	0.0246
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0171	0.0787	0.1246
Schistosoma mansoni	alpha-glucosidase	0.1123	0.5906	1
Schistosoma mansoni	lamin	0.0053	0.0152	0.0218
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0121	0.0516	0.267
Loa Loa (eye worm)	TK protein kinase	0.0046	0.0114	0.0185
Onchocerca volvulus		0.0844	0.4404	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	0.0114	0.0176
Loa Loa (eye worm)	hypothetical protein	0.0039	0.008	0.013
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0054	0.0157	0.0246
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0176	0.0815	0.0769
Toxoplasma gondii	hypothetical protein	0.0039	0.008	0.0745
Schistosoma mansoni	alpha glucosidase	0.0171	0.0787	0.1299
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0005	0.0008
Schistosoma mansoni	dihydrofolate reductase	0.0176	0.0815	0.1345
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.014	0.0621	0.1016
Trichomonas vaginalis	alpha-glucosidase, putative	0.0121	0.0516	0.267
Trichomonas vaginalis	alpha-glucosidase, putative	0.0171	0.0787	0.4365
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0054	0.0157	0.0246
Trypanosoma brucei	cysteine peptidase, Clan CA, family C2, putative	0.0108	0.045	0.5426
Loa Loa (eye worm)	intermediate filament protein	0.0053	0.0152	0.0246
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0028	0.002	0.0033
Schistosoma mansoni	hypothetical protein	0.0164	0.0752	0.1239
Trichomonas vaginalis	alpha-glucosidase, putative	0.0121	0.0516	0.267
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0054	0.0157	0.0246
Entamoeba histolytica	glycogen debranching enzyme, putative	0.0128	0.0556	0.6776
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0038	0.007	0.0105
Entamoeba histolytica	glycosyl hydrolase, family 31 protein	0.0121	0.0516	0.6224
Onchocerca volvulus		0.0053	0.0152	0.0293
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0171	0.0787	0.4365
Trypanosoma brucei	calpain-like cysteine peptidase, putative	0.0108	0.045	0.5426
Trichomonas vaginalis	alpha-L-fucosidase, putative	0.0338	0.1688	1
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0067	0.023	0.6959

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.1 nM	Luciferase-Based Assay	BINDINGDB.	No reference
IC50 (binding)	= 3.1 nM	Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins by luciferase-based assay	PATENT.	No reference
Ki (binding)	= 3.4 nM	Inhibition of Abl	ChEMBL.	17827012
Ki (binding)	= 3.4 nM	Inhibition of Abl	ChEMBL.	17827012
Ki (binding)	= 51 nM	Inhibition of Abl-T315I mutant	ChEMBL.	17827012

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: CHEMBL440963

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 462029