TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 721.694 | Formula: C33H42Cl2N6O6S
H donors: 3 H acceptors: 5 LogP: 2.54 Rotable bonds: 13
Rule of 5 violations (Lipinski): 2
SMILES: NCCC[C@@H](C(=O)N1CCN(CC1)C(=O)C1(CCOCC1)NS(=O)(=O)c1ccc(c(c1Cl)COc1cccc2c1nc(C)cc2C)Cl)N
InChi: 1S/C33H42Cl2N6O6S/c1-21-19-22(2)38-30-23(21)5-3-7-27(30)47-20-24-25(34)8-9-28(29(24)35)48(44,45)39-33(10-17-46-18-11-33)32(43)41-15-13-40(14-16-41)31(42)26(37)6-4-12-36/h3,5,7-9,19,26,39H,4,6,10-18,20,36-37H2,1-2H3/t26-/m0/s1
InChiKey: FVIJCXRMFXUYDT-SANMLTNESA-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

No curated genes were found associated with this compound

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

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
Brugia malayi	RAB, member of RAS oncogene family-like 5	0.0047	0.0283	0.0204
Brugia malayi	Protein kinase domain containing protein	0.1109	0.9932	1
Brugia malayi	Protein kinase domain containing protein	0.0032	0.0147	0.0065
Schistosoma mansoni	hypothetical protein	0.0047	0.0283	0.3169
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0283	0.0204
Schistosoma mansoni	tyrosine kinase	0.0032	0.0147	0.1016
Leishmania major	hypothetical protein, conserved	0.0047	0.0283	0.5
Brugia malayi	SRC-1	0.0032	0.0147	0.0065
Schistosoma mansoni	tyrosine kinase	0.0032	0.0147	0.1016
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0032	0.0147	0.0065
Brugia malayi	Protein kinase domain containing protein	0.0032	0.0147	0.0065
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065
Entamoeba histolytica	hypothetical protein	0.0047	0.0283	1
Echinococcus multilocularis	rab protein 3	0.0047	0.0283	0.0204
Echinococcus granulosus	tyrosine protein kinase Srms	0.0032	0.0147	0.0065
Schistosoma mansoni	growth factor receptor-bound protein	0.0028	0.0106	0.0373
Onchocerca volvulus		0.0047	0.0283	0.4129
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.0079	0.0568	0.049
Onchocerca volvulus	Mitochondrial Rho GTPase homolog	0.0047	0.0283	0.4129
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0032	0.0147	0.0065
Echinococcus multilocularis	leucine rich repeat serine:threonine protein	0.1109	0.9932	1
Trypanosoma cruzi	Rab-like 5, small G protein	0.0047	0.0283	0.5
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065
Schistosoma mansoni	tyrosine kinase	0.0035	0.0171	0.1389
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0032	0.0147	0.0065
Brugia malayi	Protein kinase domain containing protein	0.0032	0.0147	0.0065
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0032	0.0147	0.0065
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0032	0.0147	0.0065
Plasmodium vivax	ras-related protein Rab-5A, putative	0.0047	0.0283	0.5
Echinococcus multilocularis	mitogen activated protein kinase kinase kinase	0.0098	0.0739	0.0667
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0032	0.0147	0.0065
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0032	0.0147	0.5189
Brugia malayi	protein-tyrosine kinase	0.0032	0.0147	0.0065
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0032	0.0147	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0283	0.0204
Brugia malayi	Protein kinase domain containing protein	0.0032	0.0147	0.0065
Onchocerca volvulus		0.0032	0.0147	0.1324
Echinococcus granulosus	GTP binding protein Parf	0.0047	0.0283	0.0202
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0032	0.0147	0.0065
Echinococcus multilocularis	tyrosine kinase	0.0032	0.0147	0.0065
Trichomonas vaginalis	CAMK family protein kinase	0.0079	0.0568	1
Echinococcus multilocularis	tyrosine protein kinase shark	0.0032	0.0147	0.0065
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.0283	0.5
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0032	0.0147	0.0065
Loa Loa (eye worm)	TK/ABL protein kinase	0.0032	0.0147	0.0065
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0032	0.0147	0.0065
Loa Loa (eye worm)	TTK protein kinase	0.0079	0.0568	0.0493
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0032	0.0147	0.0065
Brugia malayi	Tyrosine-protein kinase abl-1	0.0032	0.0147	0.0065
Onchocerca volvulus		0.0032	0.0147	0.1324
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0032	0.0147	0.0065
Brugia malayi	SH2 domain containing protein	0.0032	0.0147	0.0065
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0028	0.0106	0.0024
Echinococcus granulosus	tyrosine protein kinase shark	0.0032	0.0147	0.0065
Entamoeba histolytica	hypothetical protein	0.0047	0.0283	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065
Onchocerca volvulus		0.0032	0.0147	0.1324
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.0283	0.5
Brugia malayi	hypothetical protein	0.0047	0.0283	0.0204
Echinococcus multilocularis	ras-related protein rab-5	0.0047	0.0283	0.0204
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.0079	0.0568	0.7674
Entamoeba histolytica	protein kinase, putative	0.0029	0.012	0.4253
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0032	0.0147	0.0065
Loa Loa (eye worm)	camk/mapkapk/mnk protein kinase	0.041	0.3575	0.3546
Onchocerca volvulus		0.0032	0.0147	0.1324
Onchocerca volvulus		0.0032	0.0147	0.1324
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065
Plasmodium falciparum	ras-related protein Rab-5A	0.0047	0.0283	0.5
Echinococcus granulosus	tyrosine kinase	0.0032	0.0147	0.0065
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.0079	0.0568	1
Brugia malayi	hypothetical protein	0.0032	0.0147	0.0065
Echinococcus granulosus	rab protein 3	0.0047	0.0283	0.0202
Schistosoma mansoni	serine/threonine protein kinase	0.0095	0.0716	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0032	0.0147	0.0065
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065
Brugia malayi	Ras-related protein ypt4	0.0047	0.0283	0.0204
Trichomonas vaginalis	CAMK family protein kinase	0.0079	0.0568	1
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0032	0.0147	0.0065
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0028	0.0106	0.0024
Trichomonas vaginalis	hypothetical protein	0.0047	0.0283	0.4983
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.0079	0.0568	0.0493
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065
Echinococcus granulosus	growth factor receptor bound protein 2	0.0028	0.0106	0.0024
Echinococcus multilocularis	NCK adaptor protein	0.0028	0.0106	0.0024
Brugia malayi	Protein kinase domain containing protein	0.0079	0.0568	0.0493
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0032	0.0147	0.0065
Echinococcus multilocularis	c src tyrosine kinase	0.0032	0.0147	0.0065
Schistosoma mansoni	tyrosine kinase	0.0032	0.0147	0.1016
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0032	0.0147	0.0065
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0032	0.0147	0.0065
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0032	0.0147	0.0065
Loa Loa (eye worm)	TKL/LRRK protein kinase	0.1109	0.9932	1
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0032	0.0147	0.0065
Trichomonas vaginalis	conserved hypothetical protein	0.0047	0.0283	0.4983
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0032	0.0147	0.0065
Echinococcus granulosus	mitogen-activated protein kinase kinase kinase 9	0.0098	0.0739	0.0662
Echinococcus granulosus	tyrosine kinase	0.0032	0.0147	0.0065
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0032	0.0147	0.0065
Brugia malayi	Protein kinase domain containing protein	0.041	0.3575	0.3546
Brugia malayi	SH2 domain containing protein	0.0032	0.0147	0.0065
Trypanosoma brucei	Rab-like 5, small G protein	0.0047	0.0283	0.5
Brugia malayi	Protein kinase domain containing protein	0.0032	0.0147	0.0065
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0032	0.0147	0.1016
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065
Echinococcus granulosus	c src tyrosine kinase	0.0032	0.0147	0.0065
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0032	0.0147	0.0065
Loa Loa (eye worm)	SRC-1	0.0032	0.0147	0.0065
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0147	0.0065
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0029	0.012	0.4253
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0032	0.0147	0.0065
Loa Loa (eye worm)	TK protein kinase	0.0032	0.0147	0.0065
Echinococcus granulosus	tyrosine protein kinase Blk	0.0032	0.0147	0.0065
Entamoeba histolytica	SH2 domain containing protein	0.0025	0.0083	0.2919
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0032	0.0147	0.0065
Trypanosoma cruzi	hypothetical protein, conserved	0.0047	0.0283	0.5
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0032	0.0147	0.0065
Schistosoma mansoni	tyrosine kinase	0.0032	0.0147	0.1016
Echinococcus multilocularis	GTP binding protein Parf	0.0047	0.0283	0.0204
Schistosoma mansoni	tyrosine kinase	0.0032	0.0147	0.1016
Onchocerca volvulus		0.0032	0.0147	0.1324
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0036	0.0185	0.0103
Giardia lamblia	Kinase, TTK	0.0079	0.0568	0.5
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0032	0.0147	0.0065
Leishmania major	hypothetical protein, conserved	0.0047	0.0283	0.5
Trichomonas vaginalis	GTP binding protein rare7l, putative	0.0047	0.0283	0.4983
Loa Loa (eye worm)	hypothetical protein	0.0047	0.0283	0.0204
Loa Loa (eye worm)	TK/FER protein kinase	0.0032	0.0147	0.0065

Activities

No activities found for this compound.

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: CHEMBL1963557

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 1614885