TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 359.468 | Formula: C21H29FN2O2
H donors: 0 H acceptors: 1 LogP: 3.57 Rotable bonds: 8
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccc2c(c1)c1C(CCCc1n2CC[18F])C(=O)N(CC)CC
InChi: 1S/C21H29FN2O2/c1-4-23(5-2)21(25)16-8-7-9-19-20(16)17-14-15(26-6-3)10-11-18(17)24(19)13-12-22/h10-11,14,16H,4-9,12-13H2,1-3H3/i22-1
InChiKey: NWTOHPLZYJPHQI-KVTPGWOSSA-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
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0061	0.0169
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0161	0.0465
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.003	0.0161	0.0443
Loa Loa (eye worm)	hypothetical protein	0.003	0.0161	0.0443
Trichomonas vaginalis	DNA polymerase eta, putative	0.0021	0.0061	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.003	0.0161	0.0443
Loa Loa (eye worm)	hypothetical protein	0.003	0.0161	0.0443
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.003	0.0161	0.0443
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.003	0.0161	0.0398
Trypanosoma brucei	DNA polymerase eta, putative	0.0021	0.0061	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.003	0.0161	0.0443
Loa Loa (eye worm)	hypothetical protein	0.003	0.0161	0.0443
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Echinococcus multilocularis	dna polymerase eta	0.0021	0.0061	0.0061
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0021	0.0061	0.0061
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3473	0.9526
Brugia malayi	Nuclear hormone receptor-like 1	0.003	0.0161	0.0443
Schistosoma mansoni	hypothetical protein	0.004	0.0271	0.078
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0061	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.003	0.0161	0.0443
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.003	0.0161	0.0465
Onchocerca volvulus	Bile acid receptor homolog	0.0337	0.3646	1
Echinococcus granulosus	translocator protein	0.0322	0.3473	0.8551
Brugia malayi	Steroid receptor seven-up type 2	0.003	0.0161	0.0443
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.003	0.0161	0.0465
Echinococcus multilocularis	ecdysone induced protein 78C	0.003	0.0161	0.0161
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0021	0.0061	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.003	0.0161	0.0443
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.003	0.0161	0.0443
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.003	0.0161	0.0161
Brugia malayi	nuclear hormone receptor	0.003	0.0161	0.0443
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.003	0.0161	0.0443
Schistosoma mansoni	coup transcription factor	0.003	0.0161	0.0465
Loa Loa (eye worm)	steroid hormone receptor	0.003	0.0161	0.0443
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0161	0.0443
Brugia malayi	TspO/MBR family protein	0.0322	0.3473	0.9526
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.003	0.0161	0.0161
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.003	0.0161	0.0465
Brugia malayi	hypothetical protein	0.013	0.1294	0.3551
Leishmania major	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0061	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3473	0.9526
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.003	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.003	0.0161	0.0443
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Entamoeba histolytica	hypothetical protein	0.004	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0055	0.044	0.1207
Onchocerca volvulus		0.0322	0.3473	0.9504
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.003	0.0161	0.0443
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.003	0.0161	0.0443
Brugia malayi	nuclear receptor NHR-88	0.003	0.0161	0.0443
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.003	0.0161	0.0443
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Onchocerca volvulus		0.0322	0.3473	0.9504
Mycobacterium tuberculosis	Possible DNA-damage-inducible protein P DinP (DNA polymerase V) (pol IV 2) (DNA nucleotidyltransferase (DNA-directed))	0.0021	0.0061	0.5
Echinococcus granulosus	tumor protein p63	0.0374	0.4061	1
Echinococcus granulosus	FTZ F1 alpha	0.003	0.0161	0.0398
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.003	0.0161	0.0443
Loa Loa (eye worm)	hypothetical protein	0.003	0.0161	0.0443
Echinococcus granulosus	ecdysone induced protein 78C	0.003	0.0161	0.0398
Mycobacterium ulcerans	tryptophan-rich sensory protein	0.0322	0.3473	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0143	0.1445	0.1445
Echinococcus multilocularis	tumor protein p63	0.0374	0.4061	0.4061
Trypanosoma brucei	unspecified product	0.0021	0.0061	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0159	0.1626	0.4004
Loa Loa (eye worm)	hypothetical protein	0.003	0.0161	0.0443
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0161	0.0398
Leishmania major	DNA polymerase eta, putative	0.0021	0.0061	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0061	0.5
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0021	0.0061	0.0177
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0021	0.0061	0.5
Trypanosoma brucei	DNA polymerase IV, putative	0.0021	0.0061	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.003	0.0161	0.0443
Echinococcus granulosus	dna polymerase kappa	0.0021	0.0061	0.0151
Entamoeba histolytica	hypothetical protein	0.004	0.0271	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0159	0.1626	0.4682
Schistosoma mansoni	DNA polymerase eta	0.0021	0.0061	0.0177
Brugia malayi	ImpB/MucB/SamB family protein	0.0021	0.0061	0.0169
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0021	0.0061	0.0177
Brugia malayi	photoreceptor-specific nuclear receptor	0.003	0.0161	0.0443
Echinococcus multilocularis	FTZ F1 alpha	0.003	0.0161	0.0161
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.003	0.0161	0.0161
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.004	0.0271	0.0271
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.003	0.0161	0.0465
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0161	0.0443
Echinococcus multilocularis	dna polymerase kappa	0.0021	0.0061	0.0061
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.004	0.0271	0.0667
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.003	0.0161	0.0398
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0021	0.0061	0.0169
Brugia malayi	steroid hormone receptor	0.003	0.0161	0.0443
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0161	0.0443
Echinococcus granulosus	dna polymerase eta	0.0021	0.0061	0.0151
Brugia malayi	ecdysteroid receptor	0.0337	0.3646	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.003	0.0161	0.0443
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.003	0.0161	0.0465
Onchocerca volvulus		0.0322	0.3473	0.9504
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.003	0.0161	0.0398
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0021	0.0061	0.5
Schistosoma mansoni	RAR-like nuclear receptor	0.003	0.0161	0.0465
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.003	0.0161	0.0443
Schistosoma mansoni	nuclear hormone receptor	0.003	0.0161	0.0465
Schistosoma mansoni	transcription factor LCR-F1	0.004	0.0271	0.078
Giardia lamblia	DINP protein human, muc B family	0.0021	0.0061	0.5
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0021	0.0061	0.0151
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Entamoeba histolytica	hypothetical protein	0.004	0.0271	1
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3473	0.9526
Schistosoma mansoni	thyroid hormone receptor	0.003	0.0161	0.0465
Loa Loa (eye worm)	hypothetical protein	0.0322	0.3473	0.9526
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.003	0.0161	0.0398
Loa Loa (eye worm)	hypothetical protein	0.0337	0.3646	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.003	0.0161	0.0443
Entamoeba histolytica	hypothetical protein	0.004	0.0271	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0021	0.0061	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.003	0.0161	0.0443
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.003	0.0161	0.0465
Onchocerca volvulus		0.0322	0.3473	0.9504
Echinococcus multilocularis	thyroid hormone receptor alpha	0.003	0.0161	0.0161
Schistosoma mansoni	steroid hormone receptor ad4bp	0.003	0.0161	0.0465
Schistosoma mansoni	peripheral-type benzodiazepine receptor	0.0322	0.3473	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.003	0.0161	0.0398
Loa Loa (eye worm)	hypothetical protein	0.003	0.0161	0.0443
Schistosoma mansoni	cellular tumor antigen P53	0.0055	0.044	0.1267
Onchocerca volvulus		0.0055	0.044	0.08
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.003	0.0161	0.0161
Trypanosoma cruzi	DNA polymerase eta, putative	0.0021	0.0061	0.5
Echinococcus multilocularis	translocator protein	0.0322	0.3473	0.3473
Brugia malayi	hypothetical protein	0.004	0.0271	0.0743

Activities

No activities found for this compound.

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: CHEMBL1946191

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 1598710