TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 495.519 | Formula: C30H23F2N3O2
H donors: 1 H acceptors: 2 LogP: 5.76 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(cc1)C1C(=C(N)OC2=C1CCC/C/2=C\c1ccc(cc1)F)c1onc(n1)c1ccccc1
InChi: 1S/C30H23F2N3O2/c31-22-13-9-18(10-14-22)17-21-7-4-8-24-25(19-11-15-23(32)16-12-19)26(28(33)36-27(21)24)30-34-29(35-37-30)20-5-2-1-3-6-20/h1-3,5-6,9-17,25H,4,7-8,33H2/b21-17+
InChiKey: IMDKKUSOIHRPLS-HEHNFIMWSA-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
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Leishmania major	DNA topoisomerase ii	0.0084	0.0646	0.1097
Trypanosoma brucei	DNA topoisomerase II alpha, putative	0.0084	0.0646	0.1097
Trypanosoma cruzi	developmentally regulated phosphoprotein, putative	0.0084	0.0646	0.1097
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Schistosoma mansoni	endoplasmin	0.0413	0.5883	0.5883
Brugia malayi	Endoplasmin precursor	0.0413	0.5883	1
Trichomonas vaginalis	endoplasmin, putative	0.0253	0.3341	0.5145
Trypanosoma brucei	heat shock protein, putative	0.0413	0.5883	1
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0115	0.1134	0.1134
Brugia malayi	kinase, mitochondrial precursor	0.0084	0.0646	0.1097
Schistosoma mansoni	pyruvate dehydrogenase	0.0084	0.0646	0.0646
Plasmodium falciparum	heat shock protein 90, putative	0.0169	0.2001	0.2588
Trypanosoma cruzi	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0084	0.0646	0.1097
Trypanosoma cruzi	heat shock protein, putative	0.0169	0.2001	0.3401
Trypanosoma brucei	heat shock protein, putative	0.0413	0.5883	1
Schistosoma mansoni	heat shock protein	0.0169	0.2001	0.2001
Echinococcus granulosus	heat shock protein 90	0.0413	0.5883	0.5883
Plasmodium vivax	heat shock protein 90, putative	0.0169	0.2001	0.2588
Echinococcus granulosus	Pyruvate dehydrogenase lipoamide kinase	0.0084	0.0646	0.0646
Leishmania major	heat shock protein, putative	0.0169	0.2001	0.3401
Trypanosoma brucei	heat shock protein, putative	0.0413	0.5883	1
Echinococcus granulosus	heat shock protein 75 kDa mitochondrial	0.0169	0.2001	0.2001
Trypanosoma brucei	heat shock protein, putative	0.0413	0.5883	1
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0084	0.0646	0.0646
Loa Loa (eye worm)	TOPoisomerase family member	0.0084	0.0646	0.1097
Loa Loa (eye worm)	heat shock protein 90	0.0413	0.5883	1
Echinococcus granulosus	heat shock protein heat shock protein 90 alpha	0.0329	0.4544	0.4544
Trypanosoma brucei	DNA topoisomerase ii	0.0084	0.0646	0.1097
Leishmania major	lipophosphoglycan biosynthetic protein, putative,heat shock protein 90, putative,glucose regulated protein 94, putative	0.0329	0.4544	0.7723
Schistosoma mansoni	lipoxygenase	0.0115	0.1134	0.1134
Toxoplasma gondii	Hsp90 domain-containing protein	0.0169	0.2001	0.2588
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Schistosoma mansoni	DNA topoisomerase II	0.0084	0.0646	0.0646
Trichomonas vaginalis	heat shock protein, putative	0.0253	0.3341	0.5145
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Toxoplasma gondii	heat shock protein 90, putative	0.0413	0.5883	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0079	0.0134
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Mycobacterium leprae	PROBABLE CHAPERONE PROTEIN HTPG (HEAT SHOCK PROTEIN) (HSP90 FAMILY PROTEIN) (HIGH TEMPERATURE PROTEIN G)	0.0329	0.4544	1
Trypanosoma brucei	heat shock protein, putative	0.0413	0.5883	1
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Brugia malayi	DNA gyrase/topoisomerase IV, A subunit family protein	0.0084	0.0646	0.1097
Trypanosoma brucei	developmentally regulated phosphoprotein	0.0084	0.0646	0.1097
Trypanosoma cruzi	heat shock protein 90, putative	0.0329	0.4544	0.7723
Chlamydia trachomatis	two component regulatory system sensor histidine kinase	0.0084	0.0646	0.5
Trypanosoma cruzi	heat shock protein 90, putative	0.0244	0.3188	0.5419
Plasmodium falciparum	heat shock protein 90, putative	0.0169	0.2001	0.2588
Treponema pallidum	heat shock protein 90	0.0329	0.4544	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0079	0.0134
Leishmania major	hypothetical protein, conserved	0.0084	0.0646	0.1097
Brugia malayi	DNA topoisomerase II, alpha isozyme	0.0084	0.0646	0.1097
Trichomonas vaginalis	heat shock protein, putative	0.0329	0.4544	0.7443
Echinococcus multilocularis	DNA topoisomerase 2 alpha	0.0084	0.0646	0.0646
Trypanosoma brucei	heat shock protein 84, putative	0.0169	0.2001	0.3401
Mycobacterium ulcerans	heat shock protein 90	0.0329	0.4544	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0413	0.5883	1
Entamoeba histolytica	90 kDa heat shock protein, putative	0.0169	0.2001	0.2588
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0646	0.1097
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Trypanosoma brucei	heat shock protein, putative	0.0413	0.5883	1
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Schistosoma mansoni	heat shock protein	0.0413	0.5883	0.5883
Trichomonas vaginalis	heat shock protein, putative	0.0329	0.4544	0.7443
Echinococcus granulosus	heat shock protein	0.0413	0.5883	0.5883
Trypanosoma brucei	heat shock protein, putative	0.0413	0.5883	1
Schistosoma mansoni	heat shock protein	0.0413	0.5883	0.5883
Echinococcus granulosus	heat shock protein 90	0.0329	0.4544	0.4544
Schistosoma mansoni	lipoxygenase	0.008	0.0584	0.0584
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0084	0.0646	0.1097
Toxoplasma gondii	heat shock protein 75, putative	0.0169	0.2001	0.2588
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Echinococcus multilocularis	heat shock protein 90	0.0329	0.4544	0.4544
Echinococcus multilocularis	endoplasmin	0.0329	0.4544	0.4544
Wolbachia endosymbiont of Brugia malayi	heat shock protein 90	0.0329	0.4544	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0115	0.1134	0.1134
Trypanosoma cruzi	mitochondrial DNA topoisomerase II, putative	0.0084	0.0646	0.1097
Trypanosoma brucei	heat shock protein, putative	0.0413	0.5883	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0646	0.1097
Brugia malayi	Hsp90 protein	0.0169	0.2001	0.3401
Toxoplasma gondii	heat shock protein HSP90	0.0413	0.5883	1
Trypanosoma cruzi	heat shock protein 85, putative	0.0329	0.4544	0.7723
Chlamydia trachomatis	DNA gyrase subunit B	0.0084	0.0646	0.5
Trypanosoma brucei	heat shock protein 90, putative	0.0413	0.5883	1
Onchocerca volvulus	Heat shock protein 75 kDa, mitochondrial homolog	0.0169	0.2001	1
Plasmodium falciparum	endoplasmin, putative	0.0253	0.3341	0.5145
Trypanosoma brucei	Histidine kinase-, DNA gyrase B-, and HSP90-like ATPase, putative	0.0084	0.0646	0.1097
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0079	0.0134
Echinococcus multilocularis	heat shock protein 75 kDa, mitochondrial	0.0169	0.2001	0.2001
Loa Loa (eye worm)	endoplasmin	0.0413	0.5883	1
Entamoeba histolytica	heat shock protein 90, putative	0.0413	0.5883	1
Loa Loa (eye worm)	heat shock protein 75	0.0169	0.2001	0.3401
Trypanosoma cruzi	heat shock protein 85, putative	0.0413	0.5883	1
Trichomonas vaginalis	heat shock protein, putative	0.0329	0.4544	0.7443
Plasmodium vivax	endoplasmin, putative	0.0413	0.5883	1
Mycobacterium tuberculosis	Probable chaperone protein HtpG (heat shock protein) (HSP90 family protein) (high temperature protein G)	0.0329	0.4544	1
Trypanosoma brucei	DNA topoisomerase II beta, putative	0.0084	0.0646	0.1097
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Leishmania major	mitochondrial DNA topoisomerase II	0.0084	0.0646	0.1097
Echinococcus granulosus	endoplasmin	0.0329	0.4544	0.4544
Brugia malayi	heat shock protein 90	0.0413	0.5883	1
Echinococcus multilocularis	heat shock protein 90	0.0413	0.5883	0.5883
Echinococcus granulosus	DNA topoisomerase 2 alpha	0.0084	0.0646	0.0646
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0413	0.5883	1
Schistosoma mansoni	endoplasmin	0.0413	0.5883	0.5883
Entamoeba histolytica	heat shock protein 90, putative	0.0413	0.5883	1
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0084	0.0646	0.1097
Trypanosoma cruzi	DNA topoisomerase II, putative	0.0084	0.0646	0.1097
Chlamydia trachomatis	DNA gyrase subunit B	0.0084	0.0646	0.5
Plasmodium falciparum	heat shock protein 90	0.0413	0.5883	1
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Plasmodium vivax	heat shock protein, putative	0.0169	0.2001	0.2588
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Trypanosoma cruzi	Heat shock protein 83, putative	0.0413	0.5883	1
Brugia malayi	Probable DNA topoisomerase II	0.0084	0.0646	0.1097
Trypanosoma cruzi	heat shock protein 85, putative	0.0413	0.5883	1
Trypanosoma cruzi	heat shock protein 90, putative	0.0413	0.5883	1
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1
Echinococcus multilocularis	Pyruvate dehydrogenase (lipoamide) kinase	0.0084	0.0646	0.0646
Giardia lamblia	Heat shock protein HSP 90-alpha	0.0329	0.4544	0.7443
Trichomonas vaginalis	heat shock protein, putative	0.0413	0.5883	1
Trypanosoma brucei	heat shock protein 90, putative	0.0413	0.5883	1
Plasmodium vivax	heat shock protein 86, putative	0.0413	0.5883	1
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0646	0.1097
Trypanosoma brucei	Heat shock protein 83, putative	0.0413	0.5883	1
Leishmania major	developmentally regulated phosphoprotein-like protein	0.0084	0.0646	0.1097
Echinococcus multilocularis	heat shock protein	0.0413	0.5883	0.5883
Giardia lamblia	Grp94/Hsp90	0.0329	0.4544	0.7443
Trichomonas vaginalis	heat shock protein, putative	0.0169	0.2001	0.2588
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0079	0.0134
Leishmania major	heat shock protein 83-1	0.0413	0.5883	1

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: CHEMBL1778809

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 1511675