TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 351.48 | Formula: C22H22FNS
H donors: 1 H acceptors: 0 LogP: 5.07 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: NCCSC(c1cccc(c1F)C)(c1ccccc1)c1ccccc1
InChi: 1S/C22H22FNS/c1-17-9-8-14-20(21(17)23)22(25-16-15-24,18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-14H,15-16,24H2,1H3
InChiKey: OOVUCNUFCUAQAM-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	kinesin family member 11	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K10398 kinesin family member 11, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium vivax	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Toxoplasma gondii	kinesin motor domain-containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus multilocularis	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Brugia malayi	Kinesin motor domain containing protein	Get druggable targets OG5_128460	All targets in OG5_128460
Neospora caninum	hypothetical protein	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium hominis	kinesin-like boursin	Get druggable targets OG5_128460	All targets in OG5_128460
Echinococcus granulosus	kinesin family 1	Get druggable targets OG5_128460	All targets in OG5_128460
Candida albicans	kinesin motor domain protein similar to S. cerevisiae KIP1 (YBL063W) microtubule motor complex protein	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium falciparum	kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Giardia lamblia	Kinesin-5	Get druggable targets OG5_128460	All targets in OG5_128460
Schistosoma mansoni	kinesin eg-5	Get druggable targets OG5_128460	All targets in OG5_128460
Entamoeba histolytica	kinesin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Loa Loa (eye worm)	kinesin-like protein KLP2	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium berghei	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium yoelii	Kinesin motor domain, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Cryptosporidium parvum	kinesin-like boursin, putative	Get druggable targets OG5_128460	All targets in OG5_128460
Plasmodium knowlesi	kinesin-5, putative	Get druggable targets OG5_128460	All targets in OG5_128460

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
Trichomonas vaginalis	CAMK family protein kinase	0.0152	0.5571	0.5
Echinococcus granulosus	tyrosine protein kinase Btk29A	0.0042	0.0446	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0446	0.0773
Schistosoma mansoni	kinesin eg-5	0.0032	0.0008	0.0009
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773
Echinococcus multilocularis	tyrosine protein kinase Srms	0.0042	0.0446	0.0446
Echinococcus granulosus	3'partial\|tyrosine protein kinase Fgr	0.0042	0.0446	0.0446
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1387	0.2434
Echinococcus granulosus	dual specificity serine:threonine tyrosine	0.0152	0.5571	0.5571
Trichomonas vaginalis	CAMK family protein kinase	0.0152	0.5571	0.5
Echinococcus granulosus	tyrosine protein kinase Srms	0.0042	0.0446	0.0446
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.0446	0.0446
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0775	0.1355
Echinococcus multilocularis	tyrosine protein kinase Fps85D	0.0042	0.0446	0.0446
Onchocerca volvulus		0.0154	0.5671	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773
Schistosoma mansoni	tyrosine kinase	0.0042	0.0446	0.0524
Echinococcus multilocularis	c src tyrosine kinase	0.0042	0.0446	0.0446
Plasmodium vivax	kinesin-5	0.0032	0.0008	0.5
Echinococcus multilocularis	tyrosine protein kinase Btk29A	0.0042	0.0446	0.0446
Echinococcus granulosus	tyrosine protein kinase Src42A	0.0042	0.0446	0.0446
Loa Loa (eye worm)	TK protein kinase	0.0042	0.0446	0.0773
Schistosoma mansoni	hypothetical protein	0.0033	0.006	0.0071
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0446	0.0773
Toxoplasma gondii	kinesin motor domain-containing protein	0.0032	0.0008	1
Echinococcus granulosus	tyrosine protein kinase Fps85D	0.0042	0.0446	0.0446
Echinococcus multilocularis	proto oncogene tyrosine protein kinase LCK	0.0042	0.0446	0.0446
Echinococcus granulosus	tyrosine protein kinase ABL1	0.0042	0.0446	0.0446
Brugia malayi	hypothetical protein	0.0154	0.5671	1
Onchocerca volvulus	Dual specificity protein kinase TTK homolog	0.0152	0.5571	0.9808
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1387	0.163
Echinococcus multilocularis	dual specificity serine:threonine tyrosine	0.0152	0.5571	0.5571
Echinococcus multilocularis	tyrosine protein kinase lyn lyn a protein tyrosine kinase lymphocyte specific protein tyrosine kinase	0.0042	0.0446	0.0446
Echinococcus granulosus	tyrosine protein kinase Lyn	0.0043	0.0491	0.0491
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1387	0.2434
Echinococcus granulosus	tyrosine kinase	0.0042	0.0446	0.0446
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1387	0.163
Schistosoma mansoni	tyrosine kinase	0.0042	0.0446	0.0524
Echinococcus granulosus	tyrosine kinase\|tyrosine protein kinase Fyn	0.0042	0.0446	0.0446
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0446	0.0773
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0446	0.0773
Echinococcus multilocularis	tyrosine protein kinase ABL1	0.0042	0.0446	0.0446
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1387	0.1387
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0775	0.1355
Echinococcus multilocularis	tyrosine protein kinase shark	0.0042	0.0446	0.0446
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1387	0.2434
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773
Echinococcus multilocularis	tyrosine protein kinase Abl	0.0042	0.0446	0.0446
Echinococcus granulosus	proto oncogene tyrosine protein kinase LCK	0.0042	0.0446	0.0446
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0446	0.0446
Schistosoma mansoni	tyrosine kinase	0.0042	0.0446	0.0524
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0446	0.0773
Loa Loa (eye worm)	hypothetical protein	0.0033	0.006	0.0092
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.0446	0.0446
Brugia malayi	TAR-binding protein	0.0062	0.1387	0.2434
Loa Loa (eye worm)	TTK protein kinase	0.0152	0.5571	0.9823
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0446	0.0446
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0446	0.0773
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0775	0.1355
Loa Loa (eye worm)	hypothetical protein	0.0154	0.5671	1
Echinococcus granulosus	tyrosine protein kinase Fyn	0.0042	0.0446	0.0446
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.006	0.0092
Echinococcus multilocularis	tyrosine kinase	0.0042	0.0446	0.0446
Echinococcus granulosus	tyrosine protein kinase Src64B	0.0042	0.0446	0.0446
Brugia malayi	SRC-1	0.0042	0.0446	0.0773
Schistosoma mansoni	hypothetical protein	0.0215	0.8508	1
Echinococcus multilocularis	tyrosine protein kinase Src42A	0.0042	0.0446	0.0446
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1387	0.1387
Echinococcus granulosus	tyrosine protein kinase Blk	0.0042	0.0446	0.0446
Schistosoma mansoni	dual specificity serine/threonine tyrosine kinase	0.0152	0.5571	0.6548
Echinococcus multilocularis	tyrosine protein kinase Src64B	0.0042	0.0446	0.0446
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773
Schistosoma mansoni	tyrosine kinase	0.0042	0.0446	0.0524
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1387	0.163
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1387	0.163
Plasmodium falciparum	kinesin-5	0.0032	0.0008	1
Brugia malayi	SH2 domain containing protein	0.0042	0.0446	0.0773
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0446	0.0446
Brugia malayi	protein-tyrosine kinase	0.0042	0.0446	0.0773
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1387	0.2434
Brugia malayi	Protein kinase domain containing protein	0.0152	0.5571	0.9823
Schistosoma mansoni	tyrosine kinase	0.0042	0.0446	0.0524
Brugia malayi	RNA binding protein	0.0062	0.1387	0.2434
Schistosoma mansoni	proto-oncogene tyrosine-protein kinase src	0.0042	0.0446	0.0524
Giardia lamblia	Kinase, TTK	0.0152	0.5571	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773
Loa Loa (eye worm)	TK/ABL protein kinase	0.0042	0.0446	0.0773
Echinococcus multilocularis	tyrosine protein kinase Fyn	0.0042	0.0446	0.0446
Echinococcus granulosus	tyrosine kinase	0.0042	0.0446	0.0446
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773
Brugia malayi	hypothetical protein	0.0042	0.0446	0.0773
Echinococcus multilocularis	tyrosine protein kinase Blk	0.0042	0.0446	0.0446
Echinococcus multilocularis	tyrosine protein kinase lyn tyrosine protein kinase blk	0.0042	0.0446	0.0446
Echinococcus granulosus	c src tyrosine kinase	0.0042	0.0446	0.0446
Entamoeba histolytica	kinesin, putative	0.0032	0.0008	0.0181
Schistosoma mansoni	tyrosine kinase	0.0042	0.0446	0.0524
Echinococcus granulosus	tyrosine protein kinase shark	0.0042	0.0446	0.0446
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0775	0.1355
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1387	0.163
Brugia malayi	SH2 domain containing protein	0.0042	0.0446	0.0773
Entamoeba histolytica	SH2-protein kinase domain containing protein	0.0042	0.0446	1
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773
Loa Loa (eye worm)	SRC-1	0.0042	0.0446	0.0773
Echinococcus multilocularis	tyrosine protein kinase Fgr	0.0042	0.0446	0.0446
Brugia malayi	Tyrosine-protein kinase abl-1	0.0042	0.0446	0.0773
Loa Loa (eye worm)	TK/FER protein kinase	0.0042	0.0446	0.0773

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 2084 nM	Growth inhibition of human K562 cells after 72 hrs by Alamar blue assay	ChEMBL.	23394180
Ki (binding)	= 293.6 nM	Inhibition of human N-terminal His6-tagged Eg5 (1 to 368 amino acid residues) motor domain basal ATPase activity expressed in Escherichia coli BL21 (DE3) by pyruvate kinase/lactate dehydrogenase-coupled assay	ChEMBL.	23394180

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: CHEMBL2325404

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 1725930