TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 545.659 | Formula: C29H34F3N3O2S
H donors: 2 H acceptors: 2 LogP: 6.84 Rotable bonds: 14
Rule of 5 violations (Lipinski): 2
SMILES: CCCc1cc(sc1C)C(=O)N[C@H](C(=O)NCCN(C)C)Cc1ccc(cc1)c1cccc(c1)C(F)(F)F
InChi: 1S/C29H34F3N3O2S/c1-5-7-22-18-26(38-19(22)2)28(37)34-25(27(36)33-14-15-35(3)4)16-20-10-12-21(13-11-20)23-8-6-9-24(17-23)29(30,31)32/h6,8-13,17-18,25H,5,7,14-16H2,1-4H3,(H,33,36)(H,34,37)/t25-/m0/s1
InChiKey: FCNFVEJKQISIMT-VWLOTQADSA-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 C1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Echinococcus multilocularis	kinesin protein KIFC3	Get druggable targets OG5_126975	All targets in OG5_126975
Giardia lamblia	Kinesin-14	Get druggable targets OG5_126975	All targets in OG5_126975
Cryptosporidium hominis	kinesin-related protein K2	Get druggable targets OG5_126975	All targets in OG5_126975
Trypanosoma brucei gambiense	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania mexicana	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania braziliensis	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Trypanosoma brucei	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania infantum	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Trypanosoma cruzi	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania donovani	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Candida albicans	C terminus of kinesin motor domain protein	Get druggable targets OG5_126975	All targets in OG5_126975
Trypanosoma congolense	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania infantum	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Trypanosoma cruzi	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Candida albicans	C terminus of kinesin motor domain protein	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania major	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Echinococcus multilocularis	kinesin family member c	Get druggable targets OG5_126975	All targets in OG5_126975
Cryptosporidium parvum	kinesin-related protein K2	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania major	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Trypanosoma brucei	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Entamoeba histolytica	kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania mexicana	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Trypanosoma brucei gambiense	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Trypanosoma brucei	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania donovani	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Leishmania braziliensis	C-terminal motor kinesin, putative	Get druggable targets OG5_126975	All targets in OG5_126975
Brugia malayi	Kinesin-like protein klp-3	Get druggable targets OG5_126975	All targets in OG5_126975
Candida albicans	N terminus of kinesin motor domain protein	Get druggable targets OG5_126975	All targets in OG5_126975

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase-like protein, putative	kinesin family member C1	673 aa	540 aa	22.4 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Onchocerca volvulus		0.0322	1	1
Schistosoma mansoni	sodium/chloride dependent transporter	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Toxoplasma gondii	hypothetical protein	0.0055	0.0485	0.5
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.0487	0.0487
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0055	0.0485	0.5
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0055	0.0485	0.0485
Onchocerca volvulus		0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0055	0.0485	0.0485
Schistosoma mansoni	lipoxygenase	0.0106	0.2323	0.2323
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Schistosoma mansoni	sodium/chloride dependent transporter	0.0322	1	1
Echinococcus granulosus	sodium:chloride dependent neurotransmitter	0.0055	0.0485	0.0485
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Loa Loa (eye worm)	animal heme peroxidase	0.0055	0.0487	0.0487
Plasmodium vivax	amine transporter, putative	0.0055	0.0485	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Brugia malayi	Sodium:neurotransmitter symporter family protein 1, putative	0.0055	0.0485	0.0485
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0322	1	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0055	0.0485	0.0485
Echinococcus granulosus	peroxidasin	0.0055	0.0487	0.0487
Onchocerca volvulus		0.0055	0.0487	0.0487
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.0487	0.0487
Echinococcus multilocularis	sodium dependent neurotransmitter transporter	0.0055	0.0485	0.0485
Loa Loa (eye worm)	animal heme peroxidase	0.0055	0.0487	0.0487
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.0487	0.0487
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0322	1	1
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0055	0.0485	0.5
Echinococcus multilocularis	sodium:chloride dependent neurotransmitter	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0485	0.0485
Plasmodium falciparum	transporter, putative	0.0055	0.0485	1
Onchocerca volvulus	Peroxidasin homolog	0.0055	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0485	0.0485
Schistosoma mansoni	sodium-dependent amino acid transporter	0.0055	0.0485	0.0485
Schistosoma mansoni	sodium/chloride dependent transporter	0.0055	0.0485	0.0485
Loa Loa (eye worm)	serotonin transporter b	0.0322	1	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0322	1	1
Brugia malayi	hypothetical protein	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.018	0.495	0.495
Echinococcus multilocularis	serotonin transporter	0.0322	1	1
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0485	0.0485
Plasmodium vivax	hypothetical protein, conserved	0.0055	0.0485	1
Onchocerca volvulus	Peroxidase homolog	0.0055	0.0487	0.0487
Onchocerca volvulus		0.0055	0.0485	0.0485
Echinococcus multilocularis	uncharacterized sodium dependent transporter	0.0055	0.0485	0.0485
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0485	0.0485
Loa Loa (eye worm)	animal heme peroxidase	0.0055	0.0487	0.0487
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0055	0.0485	0.0485
Echinococcus granulosus	sodium dependent neurotransmitter transporter	0.0055	0.0485	0.0485
Onchocerca volvulus	Peroxidasin homolog	0.0055	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0485	0.0485
Loa Loa (eye worm)	norepinephrine transporter	0.0322	1	1
Schistosoma mansoni	peroxidasin	0.0055	0.0487	0.0487
Loa Loa (eye worm)	animal heme peroxidase	0.0055	0.0487	0.0487
Echinococcus multilocularis	sodium and chloride dependent glycine	0.0055	0.0485	0.0485
Loa Loa (eye worm)	blistered cuticle protein 3	0.0055	0.0487	0.0487
Schistosoma mansoni	lipoxygenase	0.018	0.495	0.495
Echinococcus granulosus	serotonin transporter	0.0322	1	1
Onchocerca volvulus		0.0055	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Onchocerca volvulus	Dual oxidase homolog	0.0055	0.0487	0.0487
Toxoplasma gondii	Sodium:neurotransmitter symporter family protein	0.0055	0.0485	0.5
Plasmodium falciparum	amino acid transporter, putative	0.0055	0.0485	1
Echinococcus multilocularis	peroxidasin	0.0055	0.0487	0.0487
Onchocerca volvulus	Chorion peroxidase homolog	0.0055	0.0487	0.0487
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.0487	0.0487
Loa Loa (eye worm)	solute carrier family 6 member 4	0.0322	1	1
Schistosoma mansoni	sodium/chloride dependent neurotransmitter transporter	0.0055	0.0485	0.0485
Schistosoma mansoni	norepinephrine/norepinephrine transporter	0.0055	0.0485	0.0485
Chlamydia trachomatis	Ssodium-dependent amino acid transporter	0.0055	0.0485	0.5
Brugia malayi	hypothetical protein	0.0055	0.0487	0.0487
Brugia malayi	Blistered cuticle protein 3	0.0055	0.0487	0.0487
Onchocerca volvulus	Peroxidase homolog	0.0055	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Onchocerca volvulus		0.0055	0.0485	0.0485
Onchocerca volvulus		0.0055	0.0487	0.0487
Brugia malayi	Peroxidasin	0.0055	0.0487	0.0487
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Echinococcus granulosus	sodium and chloride dependent glycine	0.0055	0.0485	0.0485
Echinococcus granulosus	uncharacterized sodium dependent transporter	0.0055	0.0485	0.0485
Schistosoma mansoni	sodium-dependent neurotransmitter transporter	0.0055	0.0485	0.0485
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.018	0.495	0.495
Schistosoma mansoni	peroxidasin	0.0055	0.0487	0.0487
Toxoplasma gondii	hypothetical protein	0.0055	0.0485	0.5
Loa Loa (eye worm)	Sodium:neurotransmitter symporter family protein	0.0055	0.0485	0.0485
Treponema pallidum	sodium- and chloride- dependent transporter	0.0322	1	0.5
Echinococcus granulosus	sodium and chloride dependent glycine	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0055	0.0487	0.0487
Brugia malayi	Animal haem peroxidase family protein	0.0055	0.0487	0.0487
Brugia malayi	Sodium:neurotransmitter symporter family protein	0.0055	0.0485	0.0485
Loa Loa (eye worm)	hypothetical protein	0.0322	1	1

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 4.5 uM	Inhibition of recombinant N-terminal His6-tagged KIFC1 (Q305-K673 aa) (unknown origin) expressed in Escherichia coli BL21 (DE3) by malachite green assay	ChEMBL.	25458601

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: CHEMBL3358277

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 946646