TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 494.476 | Formula: C26H27N2O6P
H donors: 3 H acceptors: 5 LogP: 3.07 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccc(cc1)OP(=O)(O)O)N[C@H]1CCCCN(C1=O)Cc1ccc(cc1)c1ccccc1
InChi: 1S/C26H27N2O6P/c29-25(22-13-15-23(16-14-22)34-35(31,32)33)27-24-8-4-5-17-28(26(24)30)18-19-9-11-21(12-10-19)20-6-2-1-3-7-20/h1-3,6-7,9-16,24H,4-5,8,17-18H2,(H,27,29)(H2,31,32,33)/t24-/m0/s1
InChiKey: AYFIHOYRCSORDN-DEOSSOPVSA-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	SRC proto-oncogene, non-receptor tyrosine kinase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus granulosus	tyrosine protein kinase HCK	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 multilocularis	tyrosine protein kinase Src64B	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 granulosus	tyrosine protein kinase Src42A	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
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
Echinococcus multilocularis	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 Fgr	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 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
Schistosoma japonicum	Proto-oncogene tyrosine-protein kinase Yrk, putative	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
Echinococcus granulosus	tyrosine protein kinase Lyn	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
Echinococcus granulosus	tyrosine protein kinase Fyn	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 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
Echinococcus multilocularis	tyrosine protein kinase Src42A	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 Fyn	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 Srms	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
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
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	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
Loa Loa (eye worm)	TK protein kinase	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_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
Entamoeba histolytica	protein kinase, putative	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 multilocularis	tyrosine protein kinase lyn 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

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	PAB1-binding protein , putative	0.0077	0.0431	1
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0037	0.0024	0.5
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.0068	0.0068
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0287	0.0641
Schistosoma mansoni	ap endonuclease	0.0037	0.0024	0.0054
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0113	0.0113
Echinococcus multilocularis	caspase 2	0.0061	0.0271	0.0271
Schistosoma mansoni	hypothetical protein	0.0192	0.1611	0.3594
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.0113	0.0113
Schistosoma mansoni	bhlhzip transcription factor bigmax	0.0158	0.1261	0.2814
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0037	0.0024	0.0024
Loa Loa (eye worm)	hypothetical protein	0.0349	0.3213	1
Brugia malayi	SRC-1	0.0045	0.0113	0.0327
Brugia malayi	Protein kinase domain containing protein	0.0193	0.1624	0.5042
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0037	0.0024	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0137	0.1043	0.3229
Brugia malayi	RNA binding protein	0.0063	0.0287	0.087
Plasmodium falciparum	cysteine repeat modular protein 1	0.0192	0.1611	1
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.0022	0.0022
Brugia malayi	TAR-binding protein	0.0063	0.0287	0.087
Brugia malayi	exodeoxyribonuclease III family protein	0.0037	0.0024	0.0048
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.0113	0.0113
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0287	0.0641
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0137	0.1043	0.2327
Schistosoma mansoni	bhlhzip transcription factor bigmax	0.0158	0.1261	0.2814
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0349	0.3213	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0052	0.0175	0.0519
Brugia malayi	hypothetical protein	0.0049	0.0154	0.0455
Schistosoma mansoni	P2X receptor subunit	0.0474	0.4483	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0137	0.1043	0.2327
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0037	0.0024	0.5
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0063	0.0287	0.087
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.0113	0.0113
Echinococcus granulosus	apoptotic protease activating factor 1	0.0061	0.0271	0.0271
Loa Loa (eye worm)	TK protein kinase	0.0036	0.0022	0.0041
Echinococcus multilocularis	tar DNA binding protein	0.0063	0.0287	0.0287
Toxoplasma gondii	kringle domain-containing protein	0.0192	0.1611	1
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0024	0.5
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.0022	0.0022
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0113	0.0113
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0037	0.0024	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.0113	0.0113
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1611	0.5001
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0137	0.1043	0.3229
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0271	0.082
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0037	0.0024	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0287	0.0641
Echinococcus multilocularis	survival motor neuron protein 1	0.0233	0.2031	0.2031
Loa Loa (eye worm)	SRC-1	0.0045	0.0113	0.0327
Schistosoma mansoni	P2X receptor subunit	0.0474	0.4483	1
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.0068	0.0068
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.0113	0.0113
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.0113	0.0113
Brugia malayi	Inhibitor of Apoptosis domain containing protein	0.0349	0.3213	1
Brugia malayi	protein-tyrosine kinase	0.0041	0.0068	0.0186
Onchocerca volvulus		0.0192	0.1611	0.4796
Onchocerca volvulus		0.0061	0.0271	0.0443
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.0113	0.0113
Echinococcus granulosus	caspase 2	0.0061	0.0271	0.0271
Echinococcus granulosus	tar DNA binding protein	0.0063	0.0287	0.0287
Loa Loa (eye worm)	hypothetical protein	0.0061	0.0271	0.082
Loa Loa (eye worm)	hypothetical protein	0.0349	0.3213	1
Echinococcus multilocularis	apoptotic protease activating factor 1	0.0061	0.0271	0.0271
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0137	0.1043	0.1043
Trypanosoma cruzi	hypothetical protein, conserved	0.0192	0.1611	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0113	0.0113
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0052	0.0175	0.0519
Echinococcus multilocularis	inhibitor of apoptosis protein	0.0349	0.3213	0.3213
Echinococcus granulosus	survival motor neuron protein 1	0.0233	0.2031	0.2031
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0175	0.0519
Echinococcus granulosus	tyrosine kinase	0.0041	0.0068	0.0068
Brugia malayi	RNA recognition motif domain containing protein	0.0063	0.0287	0.087
Schistosoma mansoni	ap endonuclease	0.0037	0.0024	0.0054
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0137	0.1043	0.1043
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.0113	0.0113
Trichomonas vaginalis	ap endonuclease, putative	0.0037	0.0024	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0137	0.1043	0.1043
Echinococcus multilocularis	tissue type plasminogen activator	0.0192	0.1611	0.1611
Brugia malayi	Cell death protein 3 precursor	0.0061	0.0271	0.082
Schistosoma mansoni	P2X receptor subunit	0.0474	0.4483	1
Brugia malayi	Kringle domain containing protein	0.0192	0.1611	0.5001
Schistosoma mansoni	caspase-7 (C14 family)	0.0061	0.0271	0.0605
Onchocerca volvulus	Deterin homolog	0.0349	0.3213	1
Schistosoma mansoni	hypothetical protein	0.0175	0.1436	0.3204
Echinococcus granulosus	p2X purinoceptor 4	0.0474	0.4483	0.4483
Schistosoma mansoni	hypothetical protein	0.0175	0.1436	0.3204
Plasmodium vivax	cysteine repeat modular protein 1, putative	0.0192	0.1611	1
Brugia malayi	hypothetical protein	0.0061	0.0271	0.082
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0135	0.0301
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0431	0.132
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.0113	0.0113
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.0055	0.0055
Echinococcus granulosus	p2X purinoceptor 4	0.0474	0.4483	0.4483
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0135	0.0395
Schistosoma mansoni	inhibitor of apoptosis (iap) domain family member	0.0349	0.3213	0.7167
Echinococcus granulosus	p2X purinoceptor 4	0.0474	0.4483	0.4483
Echinococcus multilocularis	p2X purinoceptor 4	0.0474	0.4483	0.4483
Echinococcus multilocularis	p2X purinoceptor 4	0.0474	0.4483	0.4483
Plasmodium falciparum	ataxin-2 like protein, putative	0.0077	0.0431	0.2567
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0113	0.0113
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.0113	0.0113
Loa Loa (eye worm)	TK protein kinase	0.0041	0.0068	0.0186
Echinococcus multilocularis	max protein X	0.0158	0.1261	0.1261
Loa Loa (eye worm)	hypothetical protein	0.0233	0.2031	0.6312
Onchocerca volvulus	Cell death protein 3 homolog	0.0061	0.0271	0.0443
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0037	0.0024	0.0024
Schistosoma mansoni	P2X receptor subunit	0.0474	0.4483	1
Brugia malayi	hypothetical protein	0.0233	0.2031	0.6312
Echinococcus granulosus	inhibitor of apoptosis protein	0.0349	0.3213	0.3213
Schistosoma mansoni	hypothetical protein	0.0061	0.0271	0.0605
Echinococcus granulosus	baculoviral IAP repeat containing protein	0.0349	0.3213	0.3213
Loa Loa (eye worm)	TAR-binding protein	0.0063	0.0287	0.087
Brugia malayi	Helix-loop-helix DNA-binding domain containing protein	0.0158	0.1261	0.391
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0068	0.0068
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0137	0.1043	0.1043
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.1014	1	1
Leishmania major	hypothetical protein, conserved	0.0192	0.1611	1
Plasmodium vivax	ataxin-2 like protein, putative	0.0077	0.0431	0.2567
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0037	0.0024	0.0048
Schistosoma mansoni	inhibitor of apoptosis protein	0.0349	0.3213	0.7167
Schistosoma mansoni	hypothetical protein	0.0349	0.3213	0.7167
Echinococcus granulosus	geminin	0.0175	0.1436	0.1436
Brugia malayi	hypothetical protein	0.0077	0.0431	0.132
Leishmania major	hypothetical protein, conserved	0.0077	0.0431	0.2567
Echinococcus multilocularis	baculoviral IAP repeat containing protein	0.0349	0.3213	0.3213
Echinococcus granulosus	max protein X	0.0158	0.1261	0.1261
Loa Loa (eye worm)	helix-loop-helix DNA-binding domain-containing protein	0.0158	0.1261	0.391
Onchocerca volvulus		0.0349	0.3213	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0009	0.0019
Schistosoma mansoni	tyrosine kinase	0.0045	0.0113	0.0253
Trypanosoma cruzi	PAB1-binding protein , putative	0.0077	0.0431	0.2567
Plasmodium falciparum	ataxin-2 like protein, putative	0.0077	0.0431	0.2567
Trypanosoma cruzi	PAB1-binding protein , putative	0.0077	0.0431	0.2567
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0137	0.1043	0.2327
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.0055	0.0055
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.0068	0.0068
Echinococcus multilocularis	p2X purinoceptor 4	0.0474	0.4483	0.4483
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0037	0.0024	0.5
Schistosoma mansoni	hypothetical protein	0.0048	0.0135	0.0301
Schistosoma mansoni	tyrosine kinase	0.0045	0.0113	0.0253
Echinococcus granulosus	tissue type plasminogen activator	0.0192	0.1611	0.1611
Toxoplasma gondii	LsmAD domain-containing protein	0.0077	0.0431	0.2567
Loa Loa (eye worm)	RNA binding protein	0.0063	0.0287	0.087
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0113	0.0113
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.0068	0.0068
Echinococcus multilocularis	geminin	0.0175	0.1436	0.1436
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0052	0.0175	0.0519
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0287	0.0641
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0045	0.0113	0.0113
Loa Loa (eye worm)	TK/ROR protein kinase	0.0193	0.1624	0.5042
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0113	0.0113
Schistosoma mansoni	tar DNA-binding protein	0.0063	0.0287	0.0641

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 1500 nM	Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay	ChEMBL.	11965373
IC50 (binding)	= 1500 nM	Binding affinity towards p60 Src tyrosine kinase using scintillation proximity assay	ChEMBL.	11965373

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

No external resources registered for this compound

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 30756