TDR Targets

Basic information

Technical information

TDR Targets ID: 1429480
Name: MLS000416788
MW: 497.53 | Formula: C23H26F3N3O4S
H donors: 1 H acceptors: 3 LogP: 3.03 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CCN(CC1)S(=O)(=O)c1cccc(c1)C(F)(F)F)Nc1ccccc1N1CCOCC1
InChi: 1S/C23H26F3N3O4S/c24-23(25,26)18-4-3-5-19(16-18)34(31,32)29-10-8-17(9-11-29)22(30)27-20-6-1-2-7-21(20)28-12-14-33-15-13-28/h1-7,16-17H,8-15H2,(H,27,30)
InChiKey: BAAKEVMQAQOBRI-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

SMR000241798
T5312514

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723

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
Trypanosoma cruzi	WLM domain containing protein, putative	0.0046	0.0905	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0905	0.2551
Onchocerca volvulus		0.0046	0.0905	0.1384
Leishmania major	hypothetical protein, conserved	0.0046	0.0905	0.5
Leishmania major	hypothetical protein, conserved	0.0046	0.0905	0.5
Echinococcus granulosus	Zinc finger RanBP2 type	0.0046	0.0905	0.0446
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0905	0.2551
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0905	0.2551
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0461	0.1301
Trichomonas vaginalis	conserved hypothetical protein	0.0129	0.3547	0.5
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0991	0.2793
Schistosoma mansoni	zinc finger protein	0.0046	0.0905	0.1384
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0046	0.0905	0.5
Onchocerca volvulus		0.0046	0.0905	0.1384
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0046	0.0905	0.0446
Trypanosoma brucei	hypothetical protein, conserved	0.0046	0.0905	0.5
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.048	0.1354
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0046	0.0905	0.2551
Leishmania major	hypothetical protein, conserved	0.0046	0.0905	0.5
Echinococcus multilocularis	zinc finger protein Ran binding	0.0046	0.0905	0.0446
Echinococcus multilocularis	tumor protein p63	0.0332	1	1
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.0129	0.3547	0.3221
Echinococcus multilocularis	SWI:SNF matrix associated	0.0129	0.3547	0.3221
Schistosoma mansoni	fusion	0.0046	0.0905	0.1384
Leishmania major	hypothetical protein, conserved	0.0046	0.0905	0.5
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0905	0.2551
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.048	0.1354
Loa Loa (eye worm)	brahma associated protein	0.0129	0.3547	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0046	0.0905	0.5
Chlamydia trachomatis	SWIB complex protein	0.0129	0.3547	0.5
Schistosoma mansoni	hypothetical protein	0.0129	0.3547	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0046	0.0905	0.1384
Echinococcus multilocularis	ring and YY1 binding protein	0.0046	0.0905	0.0446
Schistosoma mansoni	hypothetical protein	0.0129	0.3547	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0129	0.3547	0.3221
Schistosoma mansoni	hypothetical protein	0.0046	0.0905	0.1384
Brugia malayi	SWIB/MDM2 domain containing protein	0.0129	0.3547	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0046	0.0905	0.5
Brugia malayi	intermediate filament protein	0.0033	0.048	0.1354
Trypanosoma brucei	hypothetical protein, conserved	0.0046	0.0905	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0046	0.0905	0.5
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0046	0.0905	0.0446
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0046	0.0905	0.5
Echinococcus granulosus	SWI:SNF matrix associated	0.0129	0.3547	0.3221
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0129	0.3547	1
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.0129	0.3547	1
Chlamydia trachomatis	DNA topoisomerase I	0.0129	0.3547	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0046	0.0905	0.2551
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0046	0.0905	0.2551
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.048	0.1354
Onchocerca volvulus		0.0046	0.0905	0.1384
Schistosoma mansoni	cellular tumor antigen P53	0.0049	0.0991	0.1665
Plasmodium vivax	hypothetical protein, conserved	0.0129	0.3547	0.5
Onchocerca volvulus		0.0046	0.0905	0.1384
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0046	0.0905	0.5
Echinococcus granulosus	ring and YY1 binding protein	0.0046	0.0905	0.0446
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0046	0.0905	0.5
Brugia malayi	brahma associated protein 60 kDa	0.0129	0.3547	1
Schistosoma mansoni	brg-1 associated factor	0.0129	0.3547	1
Onchocerca volvulus		0.0129	0.3547	1
Brugia malayi	YY1-associated factor 2	0.0046	0.0905	0.2551
Schistosoma mansoni	RNA binding protein	0.0046	0.0905	0.1384
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.0129	0.3547	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.0129	0.3547	1
Schistosoma mansoni	hypothetical protein	0.0129	0.3547	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.0129	0.3547	0.3221
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0046	0.0905	0.0446
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.0129	0.3547	0.5
Loa Loa (eye worm)	hypothetical protein	0.0033	0.048	0.1354
Echinococcus granulosus	zinc finger protein Ran binding	0.0046	0.0905	0.0446
Schistosoma mansoni	TRABID protein (C64 family)	0.0046	0.0905	0.1384
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0046	0.0905	0.5
Leishmania major	hypothetical protein, conserved	0.0046	0.0905	0.5
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.0129	0.3547	0.3221
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0046	0.0905	0.5
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0046	0.0905	0.2551
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0905	0.2551
Brugia malayi	brahma associated protein 60 kDa	0.0129	0.3547	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0046	0.0905	0.5
Onchocerca volvulus		0.0049	0.0991	0.1665
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0046	0.0905	0.5
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.0129	0.3547	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	18.526 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	25.929 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1579906

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 1429480