TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 257.169 | Formula: C10H6F3N3O2
H donors: 2 H acceptors: 3 LogP: 3.38 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O/N=C(/C(=O)Nc1ccc(cc1)C(F)(F)F)\C#N
InChi: 1S/C10H6F3N3O2/c11-10(12,13)6-1-3-7(4-2-6)15-9(17)8(5-14)16-18/h1-4,18H,(H,15,17)/b16-8+
InChiKey: QCANERAOMDIKFF-LZYBPNLTSA-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	0.0242	0.3841	0.6237
Echinococcus granulosus	Down syndrome cell adhesion molecule	0.02	0.2008	0.2008
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0196	0.1833	0.2977
Brugia malayi	hypothetical protein	0.0294	0.6159	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.02	0.2008	0.326
Schistosoma mansoni	cell adhesion molecule	0.0242	0.3841	0.4704
Loa Loa (eye worm)	hypothetical protein	0.0196	0.1833	0.2977
Echinococcus granulosus	nephrin	0.0196	0.1833	0.1833
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0242	0.3841	0.6237
Schistosoma mansoni	neuroglian	0.0242	0.3841	0.4704
Schistosoma mansoni	cell adhesion molecule	0.0196	0.1833	0.2245
Brugia malayi	protein unc-22	0.0196	0.1833	0.2977
Onchocerca volvulus		0.0196	0.1833	1
Echinococcus granulosus	roundabout 2	0.0242	0.3841	0.3841
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0242	0.3841	0.3841
Schistosoma mansoni	nephrin	0.0242	0.3841	0.4704
Onchocerca volvulus		0.0196	0.1833	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0196	0.1833	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0226	0.3135	0.509
Echinococcus multilocularis	neuroglian	0.0242	0.3841	0.3841
Brugia malayi	Fibronectin type III domain containing protein	0.0294	0.6159	1
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0196	0.1833	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0294	0.6159	1
Schistosoma mansoni	nephrin	0.0335	0.7992	0.9787
Echinococcus multilocularis	roundabout 2	0.0242	0.3841	0.3841
Schistosoma mansoni	hemicentin	0.0196	0.1833	0.2245
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0196	0.1833	0.2977
Echinococcus granulosus	insulin growth factor 1 receptor beta	0.0201	0.2019	0.2019
Loa Loa (eye worm)	hypothetical protein	0.0196	0.1833	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0294	0.6159	1
Loa Loa (eye worm)	CAMK protein kinase	0.0196	0.1833	0.2977
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0196	0.1833	0.2977
Schistosoma mansoni	cell adhesion molecule	0.0339	0.8167	1
Schistosoma mansoni	serine/threonine protein kinase	0.0196	0.1833	0.2245
Echinococcus multilocularis	titin	0.0196	0.1833	0.1833
Loa Loa (eye worm)	hypothetical protein	0.0184	0.1301	0.2113
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0196	0.1833	0.2977
Loa Loa (eye worm)	hypothetical protein	0.0226	0.3135	0.509
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0242	0.3841	0.6237
Schistosoma mansoni	cell adhesion molecule	0.0242	0.3841	0.4704
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0184	0.1301	0.1301
Echinococcus granulosus	contactin	0.0242	0.3841	0.3841
Schistosoma mansoni	myosin-binding protein-related	0.0196	0.1833	0.2245
Schistosoma mansoni	ephrin receptor	0.0201	0.2019	0.2472
Echinococcus multilocularis	roundabout 2	0.0242	0.3841	0.3841
Echinococcus granulosus	titin	0.0196	0.1833	0.1833
Echinococcus multilocularis	Down syndrome cell adhesion molecule	0.02	0.2008	0.2008
Onchocerca volvulus		0.0196	0.1833	1
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0196	0.1833	0.2977
Brugia malayi	Immunoglobulin I-set domain containing protein	0.023	0.332	0.539
Echinococcus granulosus	twitchin	0.018	0.1127	0.1127
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0242	0.3841	0.6237
Schistosoma mansoni	hypothetical protein	0.0196	0.1833	0.2245
Echinococcus granulosus	receptor type tyrosine protein phosphatase	0.0196	0.1833	0.1833
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0242	0.3841	0.6237
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0196	0.1833	0.2977
Echinococcus granulosus	roundabout 2	0.0242	0.3841	0.3841
Echinococcus multilocularis	receptor type tyrosine protein phosphatase F	0.0242	0.3841	0.3841
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0196	0.1833	0.2977
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0196	0.1833	0.2977
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0242	0.3841	0.3841
Schistosoma mansoni	titin	0.0196	0.1833	0.2245
Echinococcus granulosus	titin	0.0196	0.1833	0.1833
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.023	0.332	0.539
Loa Loa (eye worm)	hypothetical protein	0.0294	0.6159	1
Schistosoma mansoni	cell adhesion molecule	0.0196	0.1833	0.2245
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0242	0.3841	0.6237
Loa Loa (eye worm)	projectin	0.0196	0.1833	0.2977
Echinococcus multilocularis	receptor type tyrosine protein phosphatase	0.0242	0.3841	0.3841
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.02	0.2008	0.326
Schistosoma mansoni	titin	0.0196	0.1833	0.2245
Echinococcus multilocularis	transfer RNA-Phe	0.0196	0.1833	0.1833
Echinococcus multilocularis	insulin growth factor 1 receptor beta	0.0201	0.2019	0.2019
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0196	0.1833	0.2977
Echinococcus multilocularis	contactin neuroglian septate junction protein	0.0242	0.3841	0.3841
Echinococcus granulosus	neuroglian	0.018	0.1127	0.1127
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0294	0.6159	1
Echinococcus granulosus	neuroglian	0.0242	0.3841	0.3841
Schistosoma mansoni	receptor tyrosine phosphatase type r2a	0.0242	0.3841	0.4704
Echinococcus multilocularis	neuroglian	0.018	0.1127	0.1127

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 60 uM	Inhibition of DHODH in Wistar rat liver homogenates by DCIP reduction assay	ChEMBL.	21109332

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: CHEMBL1651789

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1507647