TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 447.92 | Formula: C23H22ClN7O
H donors: 3 H acceptors: 5 LogP: 3.49 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Oc1ccc(c(c1)c1cc(C)c2c(c1)nnc(n2)Nc1ccc(nc1)N1CCNCC1)Cl
InChi: 1S/C23H22ClN7O/c1-14-10-15(18-12-17(32)3-4-19(18)24)11-20-22(14)28-23(30-29-20)27-16-2-5-21(26-13-16)31-8-6-25-7-9-31/h2-5,10-13,25,32H,6-9H2,1H3,(H,27,28,30)
InChiKey: HZTVAWJXBQJPLJ-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	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
Echinococcus multilocularis	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
Entamoeba histolytica	protein 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 granulosus	tyrosine protein kinase Blk	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 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
Echinococcus granulosus	tyrosine protein kinase Lyn	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)	SRC-1	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 mansoni	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 multilocularis	tyrosine protein kinase HCK	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 lyn tyrosine protein kinase blk	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 multilocularis	tyrosine protein kinase Src42A	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 FGR, putative	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	3'partial\|tyrosine protein kinase Fgr	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	ko:K08892 fyn-related kinase, 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
Loa Loa (eye worm)	TK protein kinase	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 FYN, putative	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 Fgr	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 protein kinase Src64B	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
Brugia malayi	protein-tyrosine kinase	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
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 multilocularis	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

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
Echinococcus multilocularis	carboxylesterase 5A	0.1355	1	1
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0045	0.0271	0.0271
Brugia malayi	protein-tyrosine kinase	0.0041	0.0238	0.0238
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0229	0.1634	0.5
Loa Loa (eye worm)	hypothetical protein	0.1355	1	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0041	0.0238	0.0238
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0041	0.0238	0.0238
Brugia malayi	SRC-1	0.0045	0.0271	0.0271
Echinococcus multilocularis	para nitrobenzyl esterase	0.0229	0.1634	0.1634
Echinococcus granulosus	tyrosine kinase	0.0041	0.0238	0.0238
Loa Loa (eye worm)	carboxylesterase	0.0229	0.1634	0.1634
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0041	0.0238	0.0238
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0229	0.1634	0.1634
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0271	0.0271
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0045	0.0271	0.0271
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0229	0.1634	0.5
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0271	0.0271
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0045	0.0271	0.0271
Mycobacterium ulcerans	carboxylesterase, LipT	0.0229	0.1634	0.5
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1634	0.1634
Echinococcus multilocularis	c src tyrosine kinase	0.001	0.0009	0.0009
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0045	0.0271	0.0271
Echinococcus granulosus	carboxylesterase 5A	0.1355	1	1
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0045	0.0271	0.0271
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0045	0.0271	0.0271
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0229	0.1634	0.1634
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1634	0.1634
Brugia malayi	Carboxylesterase family protein	0.1355	1	1
Schistosoma mansoni	BC026374 protein (S09 family)	0.0229	0.1634	0.1634
Echinococcus granulosus	c src tyrosine kinase	0.001	0.0009	0.0009
Onchocerca volvulus		0.0229	0.1634	0.5
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0041	0.0238	0.0238
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0271	0.0271
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.004	0.0229	0.0229
Echinococcus granulosus	neuroligin	0.0229	0.1634	0.1634
Brugia malayi	Carboxylesterase family protein	0.0229	0.1634	0.1634
Echinococcus granulosus	acetylcholinesterase	0.1355	1	1
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0229	0.1634	0.5
Schistosoma mansoni	tyrosine kinase	0.0045	0.0271	0.0271
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0045	0.0271	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1634	0.1634
Onchocerca volvulus		0.0229	0.1634	0.5
Schistosoma mansoni	acetylcholinesterase	0.0229	0.1634	0.1634
Echinococcus granulosus	tyrosine protein kinase HCK	0.0036	0.0204	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1634	0.1634
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0045	0.0271	0.0271
Loa Loa (eye worm)	TK protein kinase	0.0041	0.0238	0.0238
Brugia malayi	Carboxylesterase family protein	0.0229	0.1634	0.1634
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.001	0.0009	0.0009
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0229	0.1634	0.1634
Echinococcus granulosus	BC026374 protein S09 family	0.0229	0.1634	0.1634
Loa Loa (eye worm)	acetylcholinesterase 1	0.1355	1	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.1355	1	1
Schistosoma mansoni	tyrosine kinase	0.001	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.1355	1	1
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0036	0.0204	0.0204
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0271	0.0271
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0045	0.0271	0.0271
Entamoeba histolytica	protein kinase, putative	0.0036	0.0204	0.5
Echinococcus multilocularis	acetylcholinesterase	0.1355	1	1
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1634	0.1634
Brugia malayi	Tyrosine-protein kinase abl-1	0.001	0.0009	0.0009
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0229	0.1634	0.1634
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.001	0.0009	0.0009
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0229	0.1634	0.1634
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.001	0.0009	0.0009
Loa Loa (eye worm)	carboxylesterase	0.0229	0.1634	0.1634
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0045	0.0271	0.0271
Schistosoma mansoni	gliotactin	0.0229	0.1634	0.1634
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0229	0.1634	0.1634
Echinococcus granulosus	tyrosine protein kinase Src42A	0.004	0.0229	0.0229
Loa Loa (eye worm)	SRC-1	0.0045	0.0271	0.0271
Echinococcus granulosus	tyrosine protein kinase Blk	0.0041	0.0238	0.0238
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0045	0.0271	0.0271
Trichomonas vaginalis	spcc417.12 protein, putative	0.0229	0.1634	0.5
Echinococcus granulosus	para nitrobenzyl esterase	0.0229	0.1634	0.1634
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1634	0.1634
Echinococcus multilocularis	neuroligin	0.0229	0.1634	0.1634
Onchocerca volvulus		0.0229	0.1634	0.5
Echinococcus granulosus	acetylcholinesterase	0.1355	1	1
Brugia malayi	Carboxylesterase family protein	0.0229	0.1634	0.1634
Brugia malayi	hypothetical protein	0.0229	0.1634	0.1634
Loa Loa (eye worm)	hypothetical protein	0.0229	0.1634	0.1634
Echinococcus multilocularis	acetylcholinesterase	0.1355	1	1
Echinococcus multilocularis	tyrosine protein kinase Abl	0.001	0.0009	0.0009
Brugia malayi	Carboxylesterase family protein	0.0229	0.1634	0.1634
Loa Loa (eye worm)	TK protein kinase	0.0036	0.0204	0.0204
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0229	0.1634	0.1634
Schistosoma mansoni	tyrosine kinase	0.0045	0.0271	0.0271
Loa Loa (eye worm)	carboxylesterase	0.1355	1	1
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0045	0.0271	0.0271
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0229	0.1634	0.5
Schistosoma mansoni	tyrosine kinase	0.001	0.0009	0.0009
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0045	0.0271	0.0271
Onchocerca volvulus		0.0229	0.1634	0.5
Onchocerca volvulus		0.0229	0.1634	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 3.3 nM	Luciferase-Based Assay	BINDINGDB.	No reference
IC50 (binding)	= 3.3 nM	Inhibition of human recombinant c-Src using PTK2 substrate incubated for 90 mins by luciferase-based assay	PATENT.	No reference

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: CHEMBL3651255

Bibliographic References

No literature references available for this target.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 1974834