TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 592.545 | Formula: C26H28F4N8O4
H donors: 5 H acceptors: 6 LogP: 1.52 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: OC(=O)C(F)(F)F.NCCCOc1cc(Nc2ncc(c(n2)N(c2ccc3c(c2)n[nH]c3C)C)F)cc(c1)C(=O)NC
InChi: 1S/C24H27FN8O2.C2HF3O2/c1-14-19-6-5-17(12-21(19)32-31-14)33(3)22-20(25)13-28-24(30-22)29-16-9-15(23(34)27-2)10-18(11-16)35-8-4-7-26;3-2(4,5)1(6)7/h5-6,9-13H,4,7-8,26H2,1-3H3,(H,27,34)(H,31,32)(H,28,29,30);(H,6,7)
InChiKey: UWJBQOCHZKOQLW-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

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	hypothetical protein, conserved	0.0023	0.0242	0.02
Brugia malayi	ImpB/MucB/SamB family protein	0.0018	0.0089	0.0333
Trypanosoma cruzi	PAB1-binding protein , putative	0.0023	0.0242	0.02
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.2142	0.2071
Mycobacterium ulcerans	hypothetical protein	0.0148	0.3869	1
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.003	0.0432	0.0346
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0089	0.2142	0.8037
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0133	0.3432	0.4368
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0281	0.7742	1
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0039	0.071	0.0811
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0039	0.071	0.0811
Plasmodium falciparum	ataxin-2 like protein, putative	0.0023	0.0242	0.5
Brugia malayi	ImpB/MucB/SamB family protein	0.0018	0.0089	0.0333
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0039	0.071	0.0811
Loa Loa (eye worm)	hypothetical protein	0.0095	0.2317	0.9179
Plasmodium vivax	ataxin-2 like protein, putative	0.0023	0.0242	0.5
Echinococcus multilocularis	geminin	0.0358	1	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.003	0.0432	0.0346
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0089	0.2142	0.8456
Entamoeba histolytica	hypothetical protein	0.0106	0.2665	1
Schistosoma mansoni	hypothetical protein	0.003	0.0432	0.0346
Brugia malayi	latrophilin 2 splice variant baaae	0.0065	0.1444	0.5421
Loa Loa (eye worm)	hypothetical protein	0.003	0.0432	0.1413
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.2142	0.2071
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0242	0.0632
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.2142	0.2071
Schistosoma mansoni	hypothetical protein	0.0065	0.1444	0.1368
Schistosoma mansoni	transcription factor LCR-F1	0.0106	0.2665	0.2599
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0106	0.2665	0.2599
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.2142	0.2071
Loa Loa (eye worm)	latrophilin receptor protein 2	0.003	0.0432	0.1413
Brugia malayi	hypothetical protein	0.0023	0.0242	0.0908
Brugia malayi	hypothetical protein	0.0106	0.2665	1
Entamoeba histolytica	hypothetical protein	0.0106	0.2665	1
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.003	0.0432	0.0346
Schistosoma mansoni	hypothetical protein	0.0358	1	1
Schistosoma mansoni	hypothetical protein	0.003	0.0432	0.0346
Schistosoma mansoni	hypothetical protein	0.003	0.0432	0.0346
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.003	0.0432	0.0346
Trichomonas vaginalis	DNA polymerase eta, putative	0.0018	0.0089	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0281	0.7742	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0095	0.2317	0.9179
Echinococcus multilocularis	GPCR, family 2	0.003	0.0432	0.0346
Loa Loa (eye worm)	transcription factor SMAD2	0.0101	0.2516	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0095	0.2317	0.8696
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0133	0.3432	0.4368
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0106	0.2665	0.2599
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0281	0.7742	1
Giardia lamblia	DINP protein human, muc B family	0.0018	0.0089	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.003	0.0432	0.162
Loa Loa (eye worm)	hypothetical protein	0.0065	0.1444	0.5585
Brugia malayi	Latrophilin receptor protein 2	0.003	0.0432	0.162
Trypanosoma cruzi	PAB1-binding protein , putative	0.0023	0.0242	0.02
Trichomonas vaginalis	DNA polymerase IV / kappa, putative	0.0018	0.0089	0.5
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0148	0.3869	1
Schistosoma mansoni	hypothetical protein	0.0358	1	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0023	0.0242	0.5
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0048	0.0961	0.114
Brugia malayi	MH2 domain containing protein	0.0101	0.2516	0.9443
Entamoeba histolytica	hypothetical protein	0.0106	0.2665	1
Schistosoma mansoni	hypothetical protein	0.0106	0.2665	0.2599
Trypanosoma brucei	PAB1-binding protein , putative	0.0023	0.0242	0.02
Echinococcus granulosus	GPCR family 2	0.003	0.0432	0.0346
Schistosoma mansoni	hypothetical protein	0.003	0.0432	0.0346
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0039	0.071	0.0811
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0089	0.2142	0.2071
Entamoeba histolytica	hypothetical protein	0.0106	0.2665	1
Leishmania major	mitochondrial DNA polymerase beta	0.0281	0.7742	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0089	0.2142	0.2071
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0089	0.2142	0.2071
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0133	0.3432	0.4368
Toxoplasma gondii	hypothetical protein	0.0045	0.0879	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0101	0.2516	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0095	0.2317	0.8696

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: CHEMBL2098291

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 1664265