TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 549.598 | Formula: C22H24FN7O5S2
H donors: 1 H acceptors: 6 LogP: 1.12 Rotable bonds: 9
Rule of 5 violations (Lipinski): 2
SMILES: O=C(N1CCN(CC1)c1ccc(cc1F)N1C[C@@H](OC1=O)Cn1nncc1)CNS(=O)(=O)c1cccs1
InChi: 1S/C22H24FN7O5S2/c23-18-12-16(30-15-17(35-22(30)32)14-29-6-5-24-26-29)3-4-19(18)27-7-9-28(10-8-27)20(31)13-25-37(33,34)21-2-1-11-36-21/h1-6,11-12,17,25H,7-10,13-15H2/t17-/m0/s1
InChiKey: WNLIZORDJIBEOY-KRWDZBQOSA-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
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0046	0.0385	0.0385
Echinococcus granulosus	neuroglian	0.0042	0.0337	0.0337
Trichomonas vaginalis	CMGC family protein kinase	0.0776	1	0.5
Echinococcus multilocularis	epidermal growth factor receptor	0.0222	0.2702	0.2702
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0046	0.0385	0.0385
Echinococcus granulosus	contactin	0.0018	0.0019	0.0019
Schistosoma mansoni	tyrosine kinase	0.0191	0.2293	0.2281
Loa Loa (eye worm)	SRC-1	0.0046	0.0385	0.0385
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.0034	0.0224	0.0209
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0018	0.0019	0.0019
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0018	0.0019	0.0019
Echinococcus multilocularis	neuroglian	0.0018	0.0019	0.0019
Echinococcus multilocularis	Immunoglobulin	0.0034	0.0224	0.0224
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0256	0.0256
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0221	0.0221
Echinococcus multilocularis	fibroblast growth factor receptor 4	0.011	0.1229	0.1229
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0046	0.0385	0.0385
Brugia malayi	Fibronectin type III domain containing protein	0.0036	0.0256	0.0241
Schistosoma mansoni	nephrin	0.0045	0.037	0.0355
Echinococcus granulosus	roundabout 2	0.0018	0.0019	0.0019
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0034	0.0224	0.0224
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0042	0.0335	0.0335
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0036	0.0256	0.0241
Loa Loa (eye worm)	TK/INSR protein kinase	0.0191	0.2293	0.2293
Echinococcus multilocularis	roundabout 2	0.0018	0.0019	0.0019
Onchocerca volvulus	Tyrosine kinase homolog	0.0195	0.2349	1
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0046	0.0385	0.0385
Echinococcus multilocularis	mitogen activated protein kinase	0.0776	1	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0776	1	1
Echinococcus multilocularis	epidermal growth factor receptor	0.0151	0.1763	0.1763
Echinococcus granulosus	plexin a4	0.0021	0.0059	0.0059
Schistosoma mansoni	titin	0.0018	0.0019	0.0003
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.0034	0.0224	0.0209
Schistosoma mansoni	tyrosine kinase	0.0191	0.2293	0.2281
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0193	0.2325	0.2325
Schistosoma mansoni	tyrosine kinase	0.0046	0.0385	0.037
Echinococcus granulosus	epidermal growth factor receptor	0.0151	0.1763	0.1763
Echinococcus multilocularis	plexin a4	0.0021	0.0059	0.0059
Echinococcus granulosus	neuroglian	0.0018	0.0019	0.0019
Brugia malayi	SRC-1	0.0046	0.0385	0.037
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0776	1	0.5
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0046	0.0385	0.0385
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0046	0.0385	0.0385
Echinococcus granulosus	ephrin type A receptor 4 A	0.0074	0.0754	0.0754
Brugia malayi	ephrin receptor 1 precursor	0.0039	0.0295	0.028
Brugia malayi	hypothetical protein	0.0036	0.0256	0.0241
Loa Loa (eye worm)	plexin A	0.0021	0.0059	0.0059
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0034	0.0229	0.0229
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0053	0.0477	0.0477
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0046	0.0385	0.0385
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0042	0.0335	0.0335
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	0.0385	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0752	0.0752
Schistosoma mansoni	tyrosine kinase	0.0151	0.1763	0.175
Loa Loa (eye worm)	TK protein kinase	0.0042	0.0335	0.0335
Echinococcus granulosus	tyrosine protein kinase Blk	0.0042	0.0335	0.0335
Echinococcus multilocularis	ephrin type A receptor 4 A	0.0074	0.0754	0.0754
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0224	0.0224
Onchocerca volvulus		0.0066	0.0647	0.2707
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0018	0.0019	0.0004
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0227	0.2772	0.2761
Brugia malayi	protein unc-22	0.0018	0.0019	0.0003
Entamoeba histolytica	protein kinase, putative	0.0038	0.0284	0.5
Schistosoma mansoni	cell adhesion molecule	0.0018	0.0019	0.0004
Loa Loa (eye worm)	TK protein kinase	0.0038	0.0284	0.0284
Brugia malayi	Protein kinase domain containing protein	0.0191	0.2293	0.2281
Trichomonas vaginalis	CMGC family protein kinase	0.0776	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0019	0.0019
Schistosoma mansoni	tyrosine kinase	0.0142	0.1656	0.1643
Echinococcus multilocularis	roundabout 2	0.0018	0.0019	0.0019
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0046	0.0385	0.0385
Schistosoma mansoni	tyrosine kinase	0.0024	0.0093	0.0078
Onchocerca volvulus		0.0018	0.0019	0.0013
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0018	0.0019	0.0019
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0018	0.0019	0.0004
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0042	0.0335	0.0335
Echinococcus granulosus	twitchin	0.0049	0.0429	0.0429
Loa Loa (eye worm)	hypothetical protein	0.0049	0.043	0.043
Echinococcus multilocularis		0.0065	0.0642	0.0642
Schistosoma mansoni	tyrosine kinase	0.0142	0.1656	0.1643
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0776	1	0.5
Echinococcus granulosus	tyrosine protein kinase HCK	0.0038	0.0284	0.0284
Schistosoma mansoni	ephrin receptor	0.0074	0.0754	0.0739
Giardia lamblia	Kinase, CMGC MAPK	0.0776	1	0.5
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0018	0.0019	0.0019
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0046	0.0385	0.0385
Echinococcus multilocularis	tyrosine protein kinase HCK	0.0038	0.0284	0.0284
Schistosoma mansoni	cell adhesion molecule	0.0018	0.0019	0.0004
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0193	0.2325	0.2325
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0224	0.0224
Schistosoma mansoni	tyrosine kinase	0.0222	0.2702	0.2691
Schistosoma mansoni	tyrosine kinase	0.0046	0.0385	0.037
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0776	1	0.5
Onchocerca volvulus		0.0178	0.2129	0.9058
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0776	1	0.5
Schistosoma mansoni	tyrosine kinase	0.0142	0.1656	0.1643
Loa Loa (eye worm)	TK/EPH protein kinase	0.0092	0.0991	0.0991
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0041	0.0317	0.0317
Schistosoma mansoni	cell adhesion molecule	0.0043	0.0349	0.0334
Echinococcus multilocularis	Immunoglobulin	0.0034	0.0224	0.0224
Echinococcus granulosus	titin	0.0018	0.0019	0.0019
Loa Loa (eye worm)	TK protein kinase	0.0119	0.1342	0.1342
Brugia malayi	plexin A	0.0021	0.0059	0.0043
Echinococcus granulosus	roundabout 2	0.0018	0.0019	0.0019
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0018	0.0019	0.0019
Loa Loa (eye worm)	hypothetical protein	0.0066	0.0647	0.0647
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0776	1	1
Echinococcus multilocularis	insulin receptor	0.0191	0.2293	0.2293
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0335	0.0335
Echinococcus granulosus	roundabout 2	0.0052	0.0462	0.0462
Schistosoma mansoni	nephrin	0.0018	0.0019	0.0004
Schistosoma mansoni	tyrosine kinase	0.011	0.1229	0.1215
Echinococcus granulosus	insulin receptor	0.0191	0.2293	0.2293
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0776	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0256	0.0256
Echinococcus granulosus	fibroblast growth factor receptor 4	0.011	0.1229	0.1229
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0018	0.0019	0.0019
Loa Loa (eye worm)	CAMK protein kinase	0.0018	0.0019	0.0019
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	0.0385	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0049	0.043	0.043
Echinococcus granulosus	mitogen activated protein kinase	0.0776	1	1
Schistosoma mansoni	serine/threonine protein kinase	0.0018	0.0019	0.0003
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0224	0.0224
Brugia malayi	Protein kinase domain containing protein	0.0082	0.0859	0.0844
Brugia malayi	protein-tyrosine kinase	0.0042	0.0335	0.032
Trichomonas vaginalis	CMGC family protein kinase	0.0776	1	0.5
Schistosoma mansoni	tyrosine kinase	0.0151	0.1763	0.175
Echinococcus granulosus	titin	0.0018	0.0019	0.0019
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0227	0.2772	0.2772
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0018	0.0019	0.0004
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0046	0.0385	0.0385
Trichomonas vaginalis	CMGC family protein kinase	0.0776	1	0.5
Loa Loa (eye worm)	hypothetical protein	0.0018	0.0015	0.0015
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0046	0.0385	0.0385
Echinococcus multilocularis	titin	0.0018	0.0019	0.0019
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0776	1	0.5
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0018	0.0019	0.0019
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0018	0.0019	0.0003
Echinococcus granulosus	tyrosine kinase	0.0042	0.0335	0.0335
Brugia malayi	Furin-like cysteine rich region family protein	0.0222	0.2702	0.2691
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0776	1	0.5
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0046	0.0385	0.0385
Schistosoma mansoni	neuroglian	0.0018	0.0019	0.0004
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0046	0.0385	0.0385
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0256	0.0256
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0046	0.0385	0.0385
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0776	1	0.5
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0119	0.1342	0.1329
Echinococcus granulosus	melanoma receptor tyrosine protein kinase	0.0151	0.1763	0.1763
Echinococcus multilocularis	neuroglian	0.0042	0.0337	0.0337
Echinococcus multilocularis	basic fibroblast growth factor receptor 1 A	0.011	0.1229	0.1229
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0317	0.0317
Echinococcus granulosus	defective proboscis extension response	0.0034	0.0224	0.0224
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0034	0.0229	0.0229
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0018	0.0019	0.0004
Loa Loa (eye worm)	TK/EGFR protein kinase	0.0222	0.2702	0.2702
Echinococcus granulosus	epidermal growth factor receptor	0.0222	0.2702	0.2702
Schistosoma mansoni	serine/threonine protein kinase	0.0776	1	1
Schistosoma mansoni	vesicular amine transporter	0.0034	0.0224	0.0209
Trypanosoma brucei	protein kinase, putative	0.0776	1	0.5
Echinococcus granulosus	mitogen activated protein kinase 3	0.0776	1	1
Echinococcus multilocularis	roundabout 2	0.0052	0.0462	0.0462
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0025	0.0112	0.0112
Echinococcus granulosus	basic fibroblast growth factor receptor 1 A	0.011	0.1229	0.1229
Echinococcus granulosus	Immunoglobulin	0.0034	0.0224	0.0224

Activities

Activity type	Activity value	Assay description	Source	Reference
MIC (functional)	> 64 ug ml-1	Antibacterial activity against Escherichia coli ATCC 25922 after 18 hrs by NCCLS agar dilution method	ChEMBL.	23811087

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: CHEMBL2415023

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 1767303