TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 390.41 | Formula: C22H19FN4O2
H donors: 1 H acceptors: 2 LogP: 5.27 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)c1nc2n(c1Nc1ccc3c(c1)OCCO3)c(C)cc(n2)C
InChi: 1S/C22H19FN4O2/c1-13-11-14(2)27-21(25-17-7-8-18-19(12-17)29-10-9-28-18)20(26-22(27)24-13)15-3-5-16(23)6-4-15/h3-8,11-12,25H,9-10H2,1-2H3
InChiKey: UIBUITSVFVGRKQ-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	TAR DNA binding protein	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus granulosus	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma japonicum	TAR DNA-binding protein 43, putative	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Schistosoma mansoni	tar DNA-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA recognition motif domain containing protein	Get druggable targets OG5_132461	All targets in OG5_132461
Echinococcus multilocularis	tar DNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	TAR-binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Loa Loa (eye worm)	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461
Brugia malayi	RNA binding protein	Get druggable targets OG5_132461	All targets in OG5_132461

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	FKBP-type peptidyl-prolyl cis-trans isomerase-33, BmFKBP-33	0.0039	0.0243	0.0834
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-59, BmFKBP59	0.0287	0.2731	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type, putative	0.0287	0.2731	1
Echinococcus granulosus	neuropeptide receptor A26	0.0543	0.5303	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0248	0.2334	0.2479
Brugia malayi	TAR-binding protein	0.0076	0.0615	0.2204
Mycobacterium ulcerans	FK-506 binding protein, peptidyl-prolyl cis-trans isomerase	0.0287	0.2731	1
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0159	0.0582
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0287	0.2731	1
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0287	0.2731	1
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-13	0.0039	0.0243	0.0891
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0039	0.0243	0.5
Chlamydia trachomatis	peptidyl-prolyl cis-trans isomerase	0.0763	0.7513	0.5
Trichomonas vaginalis	fk506-binding protein, putative	0.0287	0.2731	1
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0287	0.2731	1
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-12, BmFKBP-12	0.0287	0.2731	1
Trypanosoma brucei	peptidyl-prolyl cis-trans isomerase, putative	0.0287	0.2731	1
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-12	0.0287	0.2731	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0615	0.1756
Echinococcus granulosus	lamin	0.0032	0.0165	0.031
Loa Loa (eye worm)	intermediate filament protein	0.0032	0.0165	0.0603
Brugia malayi	RNA binding protein	0.0076	0.0615	0.2204
Giardia lamblia	FKBP-type peptidyl-prolyl cis-trans isomerase	0.0287	0.2731	1
Echinococcus multilocularis	FK506 binding protein 8, 38 kDa	0.0039	0.0243	0.0258
Giardia lamblia	70 kDa peptidylprolyl isomerase, putative	0.0287	0.2731	1
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-30	0.0039	0.0243	0.0891
Loa Loa (eye worm)	TAR-binding protein	0.0076	0.0615	0.2253
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0248	0.2334	0.4401
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0017	0.0017	0.0062
Onchocerca volvulus		0.0039	0.0243	1
Entamoeba histolytica	peptidyl-prolyl cis-trans isomerase, FKBP-type , putative	0.0287	0.2731	1
Schistosoma mansoni	immunophilin	0.0287	0.2731	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0615	0.1756
Loa Loa (eye worm)	hypothetical protein	0.0248	0.2334	0.8546
Echinococcus multilocularis		0.0039	0.0243	0.0258
Toxoplasma gondii	peptidyl-prolyl cis-trans isomerase, FKBP-type domain-containing protein	0.0763	0.7513	1
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0952	0.9415	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0543	0.5303	0.5633
Loa Loa (eye worm)	FKBP5 protein	0.0287	0.2731	1
Trypanosoma cruzi	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0287	0.2731	1
Onchocerca volvulus		0.0039	0.0243	1
Trypanosoma brucei	FK506-binding protein (FKBP)-type peptidyl-prolyl isomerase, putative	0.0287	0.2731	1
Echinococcus multilocularis	lamin	0.0032	0.0165	0.0175
Echinococcus granulosus	tar DNA binding protein	0.0076	0.0615	0.116
Brugia malayi	RNA recognition motif domain containing protein	0.0076	0.0615	0.2204
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0076	0.0615	0.2253
Loa Loa (eye worm)	FKBP-type peptidyl-prolyl cis-trans isomerase-33	0.0039	0.0243	0.0891
Echinococcus granulosus	lamin dm0	0.0032	0.0165	0.031
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0615	0.1756
Plasmodium vivax	70 kDa peptidylprolyl isomerase, putative	0.0287	0.2731	1
Echinococcus multilocularis	peptidyl prolyl cis trans isomerase FKBP4	0.0287	0.2731	0.29
Echinococcus granulosus	intermediate filament protein	0.0032	0.0165	0.031
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-30, BmFKBP-30	0.0039	0.0243	0.0834
Trypanosoma cruzi	peptidyl-prolyl cis-trans isomerase, putative	0.0287	0.2731	1
Schistosoma mansoni	immunophilin	0.0248	0.2334	0.8453
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0615	0.1756
Echinococcus multilocularis	lamin dm0	0.0032	0.0165	0.0175
Echinococcus granulosus	neuropeptide s receptor	0.0543	0.5303	1
Schistosoma mansoni	hypothetical protein	0.0039	0.0243	0.0307
Echinococcus granulosus	FK506 binding protein 2	0.0039	0.0243	0.0459
Trichomonas vaginalis	immunophilin, putative	0.0287	0.2731	1
Schistosoma mansoni	tar DNA-binding protein	0.0076	0.0615	0.1756
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP1A	0.0287	0.2731	0.5149
Loa Loa (eye worm)	RNA binding protein	0.0076	0.0615	0.2253
Echinococcus multilocularis	tar DNA binding protein	0.0076	0.0615	0.0653
Mycobacterium leprae	PROBABLE TRIGGER FACTOR (TF) PROTEIN TIG	0.0039	0.0243	0.5
Mycobacterium tuberculosis	Probable trigger factor (TF) protein Tig	0.0039	0.0243	0.5
Brugia malayi	FKBP-type peptidyl-prolyl cis-trans isomerase-13, BmFKBP-13	0.0039	0.0243	0.0834
Leishmania major	fk506-binding protein 1-like protein	0.0287	0.2731	1
Schistosoma mansoni	fk506 binding protein	0.0039	0.0243	0.0307
Echinococcus granulosus	peptidyl prolyl cis trans isomerase FKBP4	0.0287	0.2731	0.5149
Plasmodium falciparum	peptidyl-prolyl cis-trans isomerase FKBP35	0.0287	0.2731	1
Leishmania major	peptidylprolyl isomerase-like protein	0.0287	0.2731	1
Echinococcus granulosus	FK506 binding protein 8 38 kDa	0.0039	0.0243	0.0459
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0165	0.0603
Schistosoma mansoni	immunophilin	0.0287	0.2731	1
Echinococcus multilocularis	fk506 binding protein	0.0287	0.2731	0.29
Echinococcus multilocularis	musashi	0.0032	0.0165	0.0175
Wolbachia endosymbiont of Brugia malayi	FKBP-type peptidylprolyl isomerase	0.0039	0.0243	0.5
Schistosoma mansoni	immunophilin FK506 binding protein FKBP12	0.0287	0.2731	1
Trichomonas vaginalis	peptidylprolyl isomerase, putative	0.0287	0.2731	1
Echinococcus multilocularis	neuropeptide s receptor	0.0543	0.5303	0.5633
Brugia malayi	Intermediate filament tail domain containing protein	0.0032	0.0165	0.0544
Loa Loa (eye worm)	hypothetical protein	0.0039	0.0243	0.0891
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0032	0.0165	0.0603
Brugia malayi	intermediate filament protein	0.0032	0.0165	0.0544

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	12.5893 uM	PubChem BioAssay. qHTS of TDP-43 Inhibitors. (Class of assay: confirmatory)	ChEMBL.	No reference

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: CHEMBL2360718

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 1750083