TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 334.344 | Formula: C20H15FN2O2
H donors: 2 H acceptors: 1 LogP: 3.86 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1ccc(c(c1)N)Nc1ccc2c(c1)C(=O)Cc1c(O2)cccc1
InChi: 1S/C20H15FN2O2/c21-13-5-7-17(16(22)10-13)23-14-6-8-20-15(11-14)18(24)9-12-3-1-2-4-19(12)25-20/h1-8,10-11,23H,9,22H2
InChiKey: XCWXOLLBJVBIDG-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

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	intermediate filament protein	0.0028	0.0182	0.0182
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0022	0.011	0.0877
Echinococcus granulosus	survival motor neuron protein 1	0.0789	0.9983	1
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0182	0.0182
Brugia malayi	serine/threonine-protein kinase plk-2	0.0111	0.1252	0.1254
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0457	0.3655
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0413	0.0413
Echinococcus multilocularis	lamin	0.0028	0.0182	0.0182
Brugia malayi	hypothetical protein	0.0789	0.9983	1
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0182	0.0182
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0111	0.1252	0.1252
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0022	0.011	0.011
Entamoeba histolytica	hypothetical protein	0.0042	0.0366	0.2925
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0252	0.3072	1
Echinococcus granulosus	chromobox protein 1	0.0082	0.0876	0.0878
Echinococcus multilocularis	tar DNA binding protein	0.021	0.253	0.253
Loa Loa (eye worm)	hypothetical protein	0.0274	0.3344	0.335
Schistosoma mansoni	hypothetical protein	0.0329	0.4062	1
Schistosoma mansoni	lamin	0.0028	0.0182	0.0447
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.1252	1
Echinococcus multilocularis	chromobox protein 1	0.0082	0.0876	0.0876
Brugia malayi	latrophilin 2 splice variant baaae	0.0187	0.2229	0.2233
Schistosoma mansoni	ap endonuclease	0.0022	0.011	0.027
Echinococcus multilocularis	geminin	0.0329	0.4062	0.4062
Entamoeba histolytica	hypothetical protein	0.0042	0.0366	0.2925
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.021	0.253	0.2535
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0252	0.3072	1
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.011	0.5
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.1252	1
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0022	0.011	0.0357
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0252	0.3072	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0366	0.0366
Schistosoma mansoni	ap endonuclease	0.0022	0.011	0.027
Brugia malayi	chromobox protein homolog 3	0.0046	0.0413	0.0413
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.1252	1
Echinococcus multilocularis	survival motor neuron protein 1	0.0789	0.9983	0.9983
Trichomonas vaginalis	CAMK family protein kinase	0.0055	0.0529	0.4228
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0366	0.0367
Trichomonas vaginalis	chromobox protein, putative	0.0082	0.0876	0.7001
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0022	0.011	0.0877
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0252	0.3072	0.3077
Entamoeba histolytica	hypothetical protein	0.0042	0.0366	0.2925
Schistosoma mansoni	hypothetical protein	0.0087	0.0936	0.2303
Schistosoma mansoni	chromobox protein	0.0082	0.0876	0.2157
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0182	0.0182
Brugia malayi	exodeoxyribonuclease III family protein	0.0022	0.011	0.011
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0022	0.011	0.0357
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.1252	1
Echinococcus multilocularis	GPCR, family 2	0.0087	0.0936	0.0936
Schistosoma mansoni	aldehyde dehydrogenase	0.0252	0.3072	0.7563
Schistosoma mansoni	hypothetical protein	0.0329	0.4062	1
Toxoplasma gondii	aldehyde dehydrogenase	0.0252	0.3072	1
Brugia malayi	Latrophilin receptor protein 2	0.0087	0.0936	0.0937
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0457	0.3655
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.024	0.1916
Schistosoma mansoni	hypothetical protein	0.0087	0.0936	0.2303
Echinococcus granulosus	tar DNA binding protein	0.021	0.253	0.2535
Onchocerca volvulus		0.0028	0.0182	0.0959
Echinococcus granulosus	GPCR family 2	0.0087	0.0936	0.0937
Trypanosoma brucei	polo-like protein kinase	0.0111	0.1252	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0274	0.3344	0.335
Echinococcus multilocularis	chromobox protein 1	0.0082	0.0876	0.0876
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0111	0.1252	0.1254
Schistosoma mansoni	hypothetical protein	0.0161	0.1894	0.4662
Echinococcus granulosus	intermediate filament protein	0.0028	0.0182	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0182	0.0182
Echinococcus granulosus	neuropeptide s receptor	0.0544	0.6826	0.6838
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0182	0.0447
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0413	0.2178
Schistosoma mansoni	tar DNA-binding protein	0.021	0.253	0.6229
Mycobacterium leprae	PROBABLE GAMMA-GLUTAMYL PHOSPHATE REDUCTASE PROTEIN PROA (GPR) (GLUTAMATE-5-SEMIALDEHYDE DEHYDROGENASE) (GLUTAMYL-GAMMA-SEMIALDE	0.0014	0	0.5
Mycobacterium leprae	PROBABLE ALDEHYDE DEHYDROGENASE (NAD+) DEPENDENT	0.0014	0	0.5
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0022	0.011	0.0877
Schistosoma mansoni	hypothetical protein	0.0087	0.0936	0.2303
Loa Loa (eye worm)	RNA binding protein	0.021	0.253	0.2535
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0111	0.1252	1
Brugia malayi	Heterochromatin protein 1	0.0082	0.0876	0.0878
Echinococcus multilocularis	neuropeptide receptor A26	0.0544	0.6826	0.6826
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0022	0.011	0.011
Brugia malayi	TAR-binding protein	0.021	0.253	0.2535
Echinococcus multilocularis	lamin dm0	0.0028	0.0182	0.0182
Schistosoma mansoni	survival motor neuron protein	0.0161	0.1894	0.4662
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.0457	0.2415
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0285	0.0285
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0161	0.1894	0.1897
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.011	0.0877
Trichomonas vaginalis	CAMK family protein kinase	0.0055	0.0529	0.4228
Onchocerca volvulus		0.0036	0.0285	0.1504
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0022	0.011	0.011
Schistosoma mansoni	tar DNA-binding protein	0.021	0.253	0.6229
Trichomonas vaginalis	ap endonuclease, putative	0.0022	0.011	0.0877
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0274	0.3344	0.335
Echinococcus multilocularis	musashi	0.0028	0.0182	0.0182
Brugia malayi	hypothetical protein	0.0042	0.0366	0.0367
Schistosoma mansoni	aldehyde dehydrogenase	0.0252	0.3072	0.7563
Trypanosoma cruzi	polo-like protein kinase, putative	0.0111	0.1252	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0087	0.0936	0.0937
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0022	0.011	0.0877
Trichomonas vaginalis	chromobox protein, putative	0.0082	0.0876	0.7001
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0252	0.3072	1
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.1252	1
Schistosoma mansoni	hypothetical protein	0.0042	0.0366	0.0901
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0087	0.0936	0.0937
Schistosoma mansoni	lamin	0.0028	0.0182	0.0447
Schistosoma mansoni	tar DNA-binding protein	0.021	0.253	0.6229
Schistosoma mansoni	tar DNA-binding protein	0.021	0.253	0.6229
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0111	0.1252	0.6609
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0175	0.0175
Loa Loa (eye worm)	hypothetical protein	0.0187	0.2229	0.2233
Echinococcus granulosus	neuropeptide receptor A26	0.0544	0.6826	0.6838
Echinococcus granulosus	chromobox protein 1	0.0082	0.0876	0.0878
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0087	0.0936	0.0936
Brugia malayi	RNA recognition motif domain containing protein	0.021	0.253	0.2535
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0252	0.3072	0.3072
Onchocerca volvulus		0.0028	0.0182	0.0959
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0087	0.0936	0.0936
Schistosoma mansoni	tar DNA-binding protein	0.021	0.253	0.6229
Loa Loa (eye worm)	hypothetical protein	0.0087	0.0936	0.0937
Schistosoma mansoni	hypothetical protein	0.0087	0.0936	0.2303
Loa Loa (eye worm)	hypothetical protein	0.0789	0.9983	1
Brugia malayi	cytoplasmic intermediate filament protein	0.0015	0.0014	0.0014
Mycobacterium leprae	PROBABLE SUCCINATE-SEMIALDEHYDE DEHYDROGENASE [NADP+] DEPENDENT (SSDH) GABD	0.0014	0	0.5
Echinococcus multilocularis	neuropeptide s receptor	0.0544	0.6826	0.6826
Trypanosoma cruzi	polo-like protein kinase, putative	0.0111	0.1252	1
Onchocerca volvulus		0.0161	0.1894	1
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0087	0.0936	0.0937
Brugia malayi	RNA binding protein	0.021	0.253	0.2535
Toxoplasma gondii	exonuclease III APE	0.0022	0.011	0.0357
Echinococcus granulosus	geminin	0.0329	0.4062	0.4069
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0413	0.3296
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0022	0.011	0.0877
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0111	0.1252	0.1254
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.1252	1
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0022	0.011	0.0357
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0252	0.3072	1
Entamoeba histolytica	hypothetical protein	0.0042	0.0366	0.2925
Trichomonas vaginalis	CAMK family protein kinase	0.0111	0.1252	1
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0111	0.1252	0.4074
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0413	0.3296
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0022	0.011	1
Echinococcus granulosus	lamin dm0	0.0028	0.0182	0.0182
Schistosoma mansoni	hypothetical protein	0.0187	0.2229	0.5488
Loa Loa (eye worm)	heterochromatin protein 1	0.0082	0.0876	0.0878
Giardia lamblia	Kinase, PLK	0.0111	0.1252	1
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0366	0.0901
Echinococcus granulosus	lamin	0.0028	0.0182	0.0182
Loa Loa (eye worm)	TAR-binding protein	0.021	0.253	0.2535
Loa Loa (eye worm)	cytoplasmic intermediate filament protein	0.0015	0.0014	0.0014
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0087	0.0936	0.0937
Schistosoma mansoni	chromobox protein	0.0082	0.0876	0.2157
Schistosoma mansoni	kinase	0.0056	0.0548	0.1349
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0274	0.3344	0.335
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0022	0.011	0.5
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.024	0.1916
Schistosoma mansoni	serine/threonine protein kinase	0.0111	0.1252	0.3081
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0022	0.011	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: CHEMBL1097081

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 1224971