TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 431.795 | Formula: C21H13ClF3N3O2
H donors: 0 H acceptors: 2 LogP: 5.23 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccc(cc1)Cn1cnc(=O)c2c1ccc(c2)Oc1ncccc1C(F)(F)F
InChi: 1S/C21H13ClF3N3O2/c22-14-5-3-13(4-6-14)11-28-12-27-19(29)16-10-15(7-8-18(16)28)30-20-17(21(23,24)25)2-1-9-26-20/h1-10,12H,11H2
InChiKey: HTEFSVJJLTYYGA-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
Brugia malayi	histone deacetylase 3 (HD3)	0.0145	0.7198	1
Loa Loa (eye worm)	histone deacetylase	0.0079	0.2228	0.3095
Giardia lamblia	Histone deacetylase	0.0145	0.7198	0.5
Leishmania major	histone deacetylase, putative	0.0145	0.7198	0.6394
Echinococcus multilocularis	histone deacetylase 1	0.0145	0.7198	0.7198
Echinococcus multilocularis	histone deacetylase 6	0.0086	0.2716	0.2716
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Echinococcus multilocularis	histone deacetylase 7	0.0079	0.2228	0.2228
Trichomonas vaginalis	conserved hypothetical protein	0.0181	1	1
Loa Loa (eye worm)	hypothetical protein	0.008	0.2276	0.3162
Onchocerca volvulus	Histone deacetylase 10 homolog	0.005	0	0.5
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Toxoplasma gondii	histone deacetylase HDAC1	0.0079	0.2228	0.2684
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Toxoplasma gondii	histone deacetylase HDAC2	0.0145	0.7198	0.8672
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.008	0.2276	0.1804
Plasmodium falciparum	histone deacetylase 2	0.0079	0.2228	0.2495
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.008	0.2276	0.1804
Loa Loa (eye worm)	hypothetical protein	0.0058	0.0576	0.08
Trichomonas vaginalis	cAMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0181	1	1
Trypanosoma cruzi	histone deacetylase 1, putative	0.0145	0.7198	0.7198
Trichomonas vaginalis	conserved hypothetical protein	0.0159	0.83	0.8196
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Mycobacterium tuberculosis	Two component sensor histidine kinase DevS	0.0058	0.0576	0.5
Plasmodium falciparum	histone deacetylase, putative	0.0079	0.2228	0.2495
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.0145	0.7198	0.7026
Echinococcus granulosus	histone deacetylase 7	0.0079	0.2228	0.2228
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0145	0.7198	0.7026
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0145	0.7198	0.7026
Mycobacterium tuberculosis	Two component sensor histidine kinase DosT	0.0058	0.0576	0.5
Trypanosoma cruzi	histone deacetylase, putative	0.0079	0.2228	0.2228
Echinococcus granulosus	cAMP and cAMP inhibited cGMP 3'5' cyclic	0.008	0.2276	0.2276
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0181	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.0145	0.7198	0.7026
Plasmodium vivax	hypothetical protein, conserved	0.0058	0.0576	0.08
Echinococcus multilocularis	histone deacetylase	0.0079	0.2228	0.2228
Brugia malayi	Histone deacetylase family protein	0.0079	0.2228	0.3095
Loa Loa (eye worm)	histone deacetylase 7A	0.0079	0.2228	0.3095
Echinococcus granulosus	histone deacetylase	0.0079	0.2228	0.2228
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0181	1	1
Echinococcus multilocularis	dual 3',5' cyclic AMP and GMP phosphodiesterase	0.0181	1	1
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0124	0.5594	0.5325
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0181	1	1
Trichomonas vaginalis	conserved hypothetical protein	0.0159	0.83	0.8196
Plasmodium vivax	histone deacetylase 1, putative	0.0145	0.7198	1
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.0145	0.7198	0.7026
Schistosoma mansoni	histone deacetylase	0.0145	0.7198	0.7198
Schistosoma mansoni	histone deacetylase 4 5	0.0079	0.2228	0.2228
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0181	1	1
Toxoplasma gondii	hypothetical protein	0.0058	0.0576	0.0694
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0181	1	1
Brugia malayi	Histone deacetylase family protein	0.0079	0.2228	0.3095
Trichomonas vaginalis	cone cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0181	1	1
Trichomonas vaginalis	histone deacetylase, putative	0.0145	0.7198	0.7026
Echinococcus granulosus	histone deacetylase 1	0.0145	0.7198	0.7198
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0181	1	1
Echinococcus granulosus	histone deacetylase 3	0.0145	0.7198	0.7198
Loa Loa (eye worm)	histone deacetylase 3	0.0145	0.7198	1
Brugia malayi	Probable 3',5'-cyclic phosphodiesterase C32E12.2, putative	0.008	0.2276	0.3162
Schistosoma mansoni	histone deacetylase	0.0145	0.7198	0.7198
Plasmodium vivax	histone deacetylase 2, putative	0.0079	0.2228	0.3095
Trypanosoma brucei	histone deacetylase 3	0.0079	0.2228	0.2228
Brugia malayi	3'5'-cyclic nucleotide phosphodiesterase family protein	0.008	0.2276	0.3162
Echinococcus granulosus	histone deacetylase 6	0.0086	0.2716	0.2716
Leishmania major	histone deacetylase, putative	0.0145	0.7198	0.6394
Trichomonas vaginalis	histone deacetylase, putative	0.0145	0.7198	0.7026
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Plasmodium vivax	histone deacetylase, putative	0.0079	0.2228	0.3095
Mycobacterium ulcerans	putative regulatory protein	0.0058	0.0576	0.5
Trypanosoma brucei	histone deacetylase 1	0.0145	0.7198	0.7198
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0181	1	1
Mycobacterium ulcerans	putative regulatory protein	0.0058	0.0576	0.5
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Schistosoma mansoni	histone deacetylase hda2	0.0086	0.2716	0.2716
Schistosoma mansoni	cgmp-dependent 35-cyclic phosphodiesterase	0.008	0.2276	0.2276
Trypanosoma cruzi	histone deacetylase, putative	0.0079	0.2228	0.2228
Toxoplasma gondii	hypothetical protein	0.0159	0.83	1
Plasmodium falciparum	histone deacetylase 1	0.0145	0.7198	1
Entamoeba histolytica	histone deacetylase, putative	0.0145	0.7198	0.5
Trypanosoma brucei	histone deacetylase, putative	0.0079	0.2228	0.2228
Trichomonas vaginalis	conserved hypothetical protein	0.0159	0.83	0.8196
Trypanosoma cruzi	histone deacetylase 1, putative	0.0145	0.7198	0.7198
Trichomonas vaginalis	calcium/calmodulin-dependent 3,5-cyclic nucleotide phosphodiesterase, putative	0.0181	1	1
Brugia malayi	Histone deacetylase 1	0.0145	0.7198	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0181	1	1
Mycobacterium leprae	conserved hypothetical protein	0.0058	0.0576	0.5
Trypanosoma brucei	histone deacetylase 4	0.0079	0.2228	0.2228
Echinococcus multilocularis	cAMP and cAMP inhibited cGMP 3',5' cyclic	0.008	0.2276	0.2276
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Echinococcus multilocularis	histone deacetylase 6	0.0079	0.2228	0.2228
Brugia malayi	histone deacetylase 1 (HD1)	0.0145	0.7198	1
Trichomonas vaginalis	cAMP/cGMP cyclic nucleotide phosphodiesterase, putative	0.0181	1	1
Trypanosoma brucei	cAMP-specific phosphodiesterase	0.0181	1	1
Echinococcus granulosus	histone deacetylase 6	0.0079	0.2228	0.2228
Trichomonas vaginalis	high-affinity cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.008	0.2276	0.1804
Trichomonas vaginalis	cAMP and cAMP-inhibited cGMP 3,5-cyclic phosphodiesterase, putative	0.0124	0.5594	0.5325
Trichomonas vaginalis	cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Trypanosoma cruzi	histone deacetylase, putative	0.0079	0.2228	0.2228
Echinococcus granulosus	histone deacetylase 6	0.0079	0.2228	0.2228
Echinococcus multilocularis	histone deacetylase 3	0.0145	0.7198	0.7198
Trichomonas vaginalis	cAMP-specific phosphodiesterase, putative	0.0181	1	1
Echinococcus multilocularis	histone deacetylase 6	0.0079	0.2228	0.2228
Loa Loa (eye worm)	hypothetical protein	0.0145	0.7198	1
Trichomonas vaginalis	cyclic nucleotide phosphodiesterase, putative	0.0181	1	1
Trichomonas vaginalis	histone deacetylase 1, 2 ,3, putative	0.0145	0.7198	0.7026
Mycobacterium ulcerans	two component sensor histidine kinase DevS	0.0058	0.0576	0.5
Toxoplasma gondii	GAF domain-containing protein	0.0058	0.0576	0.0694
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0124	0.5594	0.5594
Schistosoma mansoni	histone deacetylase 4 5	0.0079	0.2228	0.2228
Trichomonas vaginalis	histone deacetylase, putative	0.0145	0.7198	0.7026
Toxoplasma gondii	hypothetical protein	0.0058	0.0576	0.0694
Schistosoma mansoni	camp/cgmp cyclic nucleotide phosphodiesterase	0.0181	1	1
Trichomonas vaginalis	rod cGMP-specific 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Trypanosoma cruzi	cAMP specific phosphodiesterase, putative	0.0181	1	1
Trichomonas vaginalis	cGMP-inhibited 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Trichomonas vaginalis	cGMP-dependent 3,5-cyclic phosphodiesterase, putative	0.0181	1	1
Toxoplasma gondii	histone deacetylase HDAC3	0.0145	0.7198	0.8672
Loa Loa (eye worm)	histone deacetylase 1	0.0145	0.7198	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: CHEMBL2403330

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1776836