TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 395.402 | Formula: C22H19F2N3O2
H donors: 2 H acceptors: 2 LogP: 3.99 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C1N(C)C(=O)C(=C1NCCc1ccc(c(c1)F)F)c1c(C)[nH]c2c1cccc2
InChi: 1S/C22H19F2N3O2/c1-12-18(14-5-3-4-6-17(14)26-12)19-20(22(29)27(2)21(19)28)25-10-9-13-7-8-15(23)16(24)11-13/h3-8,11,25-26H,9-10H2,1-2H3
InChiKey: BCXCIJCVCYHCQU-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
Loa Loa (eye worm)	MH2 domain-containing protein	0.0128	0.4446	0.4407
Schistosoma mansoni	apoferritin-2	0.0009	0.001	0.0014
Mycobacterium ulcerans	carboxylesterase, LipT	0.0034	0.0952	1
Schistosoma mansoni	cpg binding protein	0.0032	0.0885	0.122
Onchocerca volvulus		0.0034	0.0952	0.0159
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0203	0.7254	1
Brugia malayi	hypothetical protein	0.0027	0.0679	0.0617
Mycobacterium tuberculosis	Carboxylesterase LipT	0.0034	0.0952	1
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0952	0.1312
Echinococcus granulosus	BC026374 protein S09 family	0.0034	0.0952	0.1312
Treponema pallidum	bacterioferrin (TpF1)	0.0009	0.001	0.5
Schistosoma mansoni	ferritin	0.0009	0.001	0.0014
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.1665	0.161
Schistosoma mansoni	apoferritin-2	0.0009	0.001	0.0014
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.6448	0.6445
Schistosoma mansoni	ferritin	0.0009	0.001	0.0014
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0302	0.0416
Trichomonas vaginalis	set domain proteins, putative	0.0254	0.917	0.9169
Echinococcus multilocularis	neuroligin	0.0034	0.0952	0.1312
Loa Loa (eye worm)	hypothetical protein	0.0203	0.7254	0.7234
Echinococcus granulosus	cpg binding protein	0.0032	0.0885	0.122
Echinococcus granulosus	acetylcholinesterase	0.0203	0.7254	1
Brugia malayi	Carboxylesterase family protein	0.0203	0.7254	0.7235
Brugia malayi	Carboxylesterase family protein	0.0034	0.0952	0.0892
Echinococcus granulosus	neuroligin	0.0034	0.0952	0.1312
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0679	0.5
Brugia malayi	Carboxylesterase family protein	0.0034	0.0952	0.0892
Brugia malayi	Pre-SET motif family protein	0.0033	0.089	0.083
Onchocerca volvulus	Glucosylceramidase homolog	0.0181	0.6448	0.674
Schistosoma mansoni	ferritin	0.0009	0.001	0.0014
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.089	0.1227
Wolbachia endosymbiont of Brugia malayi	bacterioferritin/cytochrome b1	0.0009	0.001	0.5
Echinococcus granulosus	geminin	0.0181	0.6448	0.889
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.089	0.1227
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0819	0.0759
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0302	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0302	0.0233
Onchocerca volvulus		0.0034	0.0952	0.0159
Echinococcus granulosus	carboxylesterase 5A	0.0203	0.7254	1
Onchocerca volvulus		0.0034	0.0952	0.0159
Schistosoma mansoni	hypothetical protein	0.0036	0.1034	0.1425
Onchocerca volvulus		0.0033	0.089	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0952	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0952	0.0888
Schistosoma mansoni	hypothetical protein	0.0012	0.0123	0.0169
Schistosoma mansoni	hypothetical protein	0.0017	0.0302	0.0416
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.6448	0.6445
Brugia malayi	Pre-SET motif family protein	0.0223	0.802	0.8007
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.6448	0.6445
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.6813	0.681
Loa Loa (eye worm)	acetylcholinesterase 1	0.0203	0.7254	0.7234
Schistosoma mansoni	hypothetical protein	0.0017	0.0302	0.0416
Trichomonas vaginalis	spcc417.12 protein, putative	0.0034	0.0952	0.0943
Schistosoma mansoni	cpg binding protein	0.0032	0.0885	0.122
Echinococcus multilocularis	para nitrobenzyl esterase	0.0034	0.0952	0.1312
Echinococcus granulosus	expressed protein	0.0009	0.001	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0036	0.1034	0.097
Loa Loa (eye worm)	carboxylesterase	0.0034	0.0952	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0952	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0679	0.0613
Echinococcus multilocularis	acetylcholinesterase	0.0203	0.7254	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.6813	0.681
Schistosoma mansoni	hypothetical protein	0.0181	0.6448	0.889
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0302	0.0416
Brugia malayi	Carboxylesterase family protein	0.0034	0.0952	0.0892
Trypanosoma brucei	PAB1-binding protein , putative	0.0027	0.0679	0.5
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.1665	0.161
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0223	0.802	0.8006
Schistosoma mansoni	acetylcholinesterase	0.0034	0.0952	0.1312
Echinococcus multilocularis	geminin	0.0181	0.6448	0.889
Onchocerca volvulus		0.0034	0.0952	0.0159
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0821	0.1132
Echinococcus granulosus	para nitrobenzyl esterase	0.0034	0.0952	0.1312
Echinococcus multilocularis	acetylcholinesterase	0.0203	0.7254	1
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.007	0.0097
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0952	0.0888
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.089	0.1227
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0302	0.0416
Echinococcus multilocularis	carboxylesterase 5A	0.0203	0.7254	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0952	0.0888
Loa Loa (eye worm)	transcription factor SMAD2	0.0128	0.4446	0.4407
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0059	0.1891	1
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0302	0.0238
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0012	0.0123	0.0169
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0952	0.1312
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.1034	0.0975
Echinococcus granulosus	ferritin	0.0009	0.001	0.0014
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.6448	0.6445
Schistosoma mansoni	neuroligin 3 (S09 family)	0.0034	0.0952	0.1312
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0302	0.0416
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0819	0.0755
Echinococcus multilocularis	BC026374 protein (S09 family)	0.0034	0.0952	0.1312
Brugia malayi	Carboxylesterase family protein	0.0034	0.0952	0.0892
Schistosoma mansoni	family S9 non-peptidase homologue (S09 family)	0.0034	0.0952	0.1312
Echinococcus granulosus	acetylcholinesterase	0.0203	0.7254	1
Echinococcus multilocularis	family S9 non peptidase ue (S09 family)	0.0034	0.0952	0.1312
Echinococcus multilocularis	cpg binding protein	0.0032	0.0885	0.122
Schistosoma mansoni	BC026374 protein (S09 family)	0.0034	0.0952	0.1312
Echinococcus granulosus	family S9 non peptidase ue S09 family	0.0034	0.0952	0.1312
Loa Loa (eye worm)	carboxylesterase	0.0034	0.0952	0.0888
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.007	0.0097
Schistosoma mansoni	hypothetical protein	0.0017	0.0302	0.0416
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.089	0.1227
Echinococcus granulosus	GPCR family 2	0.0017	0.0302	0.0416
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0952	0.0888
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1665	0.1606
Plasmodium vivax	SET domain protein, putative	0.0033	0.089	1
Mycobacterium leprae	PROBABLE BACTERIOFERRITIN BFRA	0.0009	0.001	0.5
Schistosoma mansoni	cpg binding protein	0.0031	0.0819	0.113
Schistosoma mansoni	hypothetical protein	0.0181	0.6448	0.889
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0679	0.5
Brugia malayi	MH2 domain containing protein	0.0128	0.4446	0.4409
Schistosoma mansoni	ferritin	0.0009	0.001	0.0014
Echinococcus multilocularis	expressed protein	0.0009	0.001	0.0014
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0952	0.0888
Trichomonas vaginalis	carboxylesterase domain containing protein, putative	0.0034	0.0952	0.0943
Brugia malayi	hypothetical protein	0.0034	0.0952	0.0892
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0012	0.0123	0.0169
Loa Loa (eye worm)	hypothetical protein	0.0203	0.7254	0.7234
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.6448	0.6445
Loa Loa (eye worm)	carboxylesterase	0.0203	0.7254	0.7234
Loa Loa (eye worm)	hypothetical protein	0.0033	0.089	0.0826
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0034	0.0952	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0033	0.089	0.174
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.6448	0.6445
Schistosoma mansoni	ferritin light chain	0.0009	0.001	0.0014
Schistosoma mansoni	hypothetical protein	0.0017	0.0302	0.0416
Mycobacterium tuberculosis	POSSIBLE PARA-NITROBENZYL ESTERASE (FRAGMENT)	0.0034	0.0952	1
Echinococcus multilocularis	ferritin	0.0009	0.001	0.0014
Leishmania major	hypothetical protein, conserved	0.0027	0.0679	0.5
Brugia malayi	hypothetical protein	0.0017	0.0322	0.0258
Onchocerca volvulus		0.0034	0.0952	0.0159
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0302	0.0233
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.089	0.1227
Plasmodium falciparum	ataxin-2 like protein, putative	0.0027	0.0679	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.089	0.1227
Trypanosoma cruzi	PAB1-binding protein , putative	0.0027	0.0679	0.5
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0302	0.0238
Schistosoma mansoni	ferritin light chain	0.0009	0.001	0.0014
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0066	0.2151	0.2966
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.089	0.1227
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.1665	0.1606
Schistosoma mansoni	gliotactin	0.0034	0.0952	0.1312
Trichomonas vaginalis	glucosylceramidase, putative	0.0181	0.6448	0.6445
Onchocerca volvulus		0.0254	0.917	1
Brugia malayi	Carboxylesterase family protein	0.0203	0.7254	0.7235

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: CHEMBL1253809

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 1180944