TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 419.437 | Formula: C23H24F3NO3
H donors: 0 H acceptors: 1 LogP: 4.69 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: O=C(c1ccccc1C(F)(F)F)N(C1CC1)Cc1cccc(c1)OCC1CCCO1
InChi: 1S/C23H24F3NO3/c24-23(25,26)21-9-2-1-8-20(21)22(28)27(17-10-11-17)14-16-5-3-6-18(13-16)30-15-19-7-4-12-29-19/h1-3,5-6,8-9,13,17,19H,4,7,10-12,14-15H2
InChiKey: IVMRWXIDRKVQQZ-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
Mycobacterium tuberculosis	Probable proline iminopeptidase Pip (prolyl aminopeptidase) (pap)	0.0053	0.0028	0.0013
Mycobacterium leprae	PROBABLE AMIDASE AMIC (AMINOHYDROLASE)	0.0128	0.0204	0.0858
Echinococcus multilocularis	abhydrolase domain containing 3	0.0052	0.0025	0.004
Giardia lamblia	Hypothetical protein	0.0053	0.0028	1
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Mycobacterium ulcerans	thioesterase	0.0053	0.0028	0.0003
Mycobacterium tuberculosis	Probable epoxide hydrolase EphB (epoxide hydratase)	0.0053	0.0028	0.0013
Giardia lamblia	ENC6 protein	0.0053	0.0028	1
Onchocerca volvulus	Valacyclovir hydrolase homolog	0.0053	0.0028	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0053	0.0028	0.0017
Chlamydia trachomatis	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0128	0.0204	1
Mycobacterium ulcerans	oxidoreductase	0.0053	0.0028	0.0003
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Mycobacterium tuberculosis	Probable amidase AmiA2 (aminohydrolase)	0.0128	0.0204	0.0189
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0053	0.0028	1
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0875	0.1955	1
Echinococcus granulosus	abhydrolase domain containing protein 13	0.0052	0.0025	0.004
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0875	0.1955	1
Leishmania major	hypothetical protein, conserved	0.0053	0.0028	0.0017
Echinococcus multilocularis	maspardin	0.0053	0.0028	0.0054
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1062	0.2394	1
Mycobacterium ulcerans	hypothetical protein	0.0875	0.1955	0.1936
Mycobacterium ulcerans	lysophospholipase	0.0053	0.0028	0.0003
Mycobacterium tuberculosis	Possible amidase (aminohydrolase)	0.0128	0.0204	0.0189
Toxoplasma gondii	hydrolase, alpha/beta fold family protein	0.0053	0.0028	1
Treponema pallidum	carboxylesterase (est)	0.0053	0.0028	0.1371
Mycobacterium tuberculosis	Probable epoxide hydrolase EphC (epoxide hydratase)	0.0053	0.0028	0.0013
Toxoplasma gondii	hypothetical protein	0.0053	0.0028	1
Treponema pallidum	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0128	0.0204	1
Mycobacterium tuberculosis	Probable lignin peroxidase LipJ	0.0053	0.0028	0.0013
Mycobacterium ulcerans	hydrolase	0.0053	0.0028	0.0003
Loa Loa (eye worm)	amidase	0.0128	0.0204	0.0794
Wolbachia endosymbiont of Brugia malayi	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0128	0.0204	0.5
Mycobacterium ulcerans	amidase	0.0128	0.0204	0.018
Mycobacterium ulcerans	hydrolase	0.0053	0.0028	0.0003
Giardia lamblia	Hypothetical protein	0.0053	0.0028	1
Echinococcus granulosus	Phospholipase carboxylesterase	0.0052	0.0025	0.004
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0028	0.0003
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Mycobacterium tuberculosis	Probable lipase/esterase LipG	0.0053	0.0028	0.0013
Mycobacterium tuberculosis	Unknown protein	0.0053	0.0028	0.0013
Trypanosoma cruzi	hypothetical protein, conserved	0.0053	0.0028	0.0017
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0025	0.004
Leishmania major	hypothetical protein, conserved	0.0053	0.0028	0.0017
Mycobacterium tuberculosis	Possible lysophospholipase	0.0928	0.208	0.2068
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Mycobacterium tuberculosis	Unknown protein	0.0053	0.0028	0.0013
Mycobacterium tuberculosis	Conserved protein	0.0053	0.0028	0.0013
Echinococcus granulosus	fatty acid amide hydrolase 1	0.0128	0.0204	0.0794
Leishmania major	hypothetical protein, conserved	0.0053	0.0028	0.0017
Giardia lamblia	Protein phosphatase methylesterase-1	0.0053	0.0028	1
Echinococcus granulosus	abhydrolase domain containing protein 8	0.0053	0.0028	0.0054
Mycobacterium tuberculosis	Conserved protein	0.0053	0.0028	0.0013
Echinococcus granulosus	abhydrolase domain containing 3	0.0052	0.0025	0.004
Trichomonas vaginalis	conserved hypothetical protein	0.0875	0.1955	1
Loa Loa (eye worm)	protein phosphatase methylesterase 1	0.0053	0.0028	0.0054
Mycobacterium tuberculosis	Possible hydrolase	0.0053	0.0028	0.0013
Mycobacterium tuberculosis	Probable amidase AmiB2 (aminohydrolase)	0.0128	0.0204	0.0189
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0053	0.0028	0.0013
Trypanosoma cruzi	hypothetical protein, conserved	0.0053	0.0028	0.0017
Mycobacterium tuberculosis	Possible hydrolase	0.0053	0.0028	0.0013
Trichomonas vaginalis	conserved hypothetical protein	0.0875	0.1955	1
Mycobacterium ulcerans	lipase LipV	0.0053	0.0028	0.0003
Loa Loa (eye worm)	amidase	0.0128	0.0204	0.0794
Echinococcus multilocularis	Phospholipase carboxylesterase	0.0052	0.0025	0.004
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Trypanosoma cruzi	monoglyceride lipase, putative	0.0875	0.1955	1
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0028	0.0003
Mycobacterium tuberculosis	Possible haloalkane dehalogenase	0.0053	0.0028	0.0013
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0875	0.1955	1
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0028	0.0003
Trypanosoma brucei	monoglyceride lipase, putative	0.0875	0.1955	1
Onchocerca volvulus		0.0053	0.0028	1
Mycobacterium ulcerans	hydrolase	0.0053	0.0028	0.0003
Plasmodium falciparum	esterase, putative	0.0875	0.1955	1
Mycobacterium tuberculosis	Possible lipase LipV	0.0053	0.0028	0.0013
Mycobacterium ulcerans	amidase	0.0128	0.0204	0.018
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Mycobacterium tuberculosis	Conserved hypothetical alanine rich protein	0.0053	0.0028	0.0013
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0028	0.0003
Mycobacterium tuberculosis	Probable amidase AmiD (acylamidase) (acylase)	0.0128	0.0204	0.0189
Echinococcus granulosus	protein phosphatase methylesterase 1	0.0053	0.0028	0.0054
Onchocerca volvulus	Putative protein phosphatase methylesterase 1	0.0053	0.0028	1
Echinococcus granulosus	glutamyl tRNAGln amidotransferase subunit A	0.0128	0.0204	0.0794
Schistosoma mansoni	amidase	0.1062	0.2394	1
Schistosoma mansoni	fatty-acid amide hydrolase	0.0128	0.0204	0.0827
Echinococcus multilocularis	abhydrolase domain containing protein 8	0.0053	0.0028	0.0054
Mycobacterium ulcerans	aspartyl/glutamyl-tRNA amidotransferase subunit A	0.0128	0.0204	0.018
Plasmodium falciparum	lysophospholipase, putative	0.0875	0.1955	1
Echinococcus multilocularis	monoacylglycerol lipase abhd12	0.0052	0.0025	0.004
Onchocerca volvulus		0.0053	0.0028	1
Mycobacterium ulcerans	amidase	0.0128	0.0204	0.018
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0025	0.004
Schistosoma mansoni	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0128	0.0204	0.0827
Loa Loa (eye worm)	hypothetical protein	0.1062	0.2394	1
Onchocerca volvulus	Alpha\/beta hydrolase2 homolog	0.0053	0.0028	1
Plasmodium falciparum	lysophospholipase, putative	0.0875	0.1955	1
Mycobacterium ulcerans	amidase	0.0128	0.0204	0.018
Echinococcus granulosus	fatty acid amide hydrolase 1	0.1062	0.2394	1
Brugia malayi	Protein C20orf22	0.0052	0.0025	0.004
Echinococcus multilocularis	glutamyl tRNA(Gln) amidotransferase subunit A	0.0128	0.0204	0.0794
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1062	0.2394	1
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.1062	0.2394	1
Brugia malayi	MGC79044 protein	0.0052	0.0025	0.004
Brugia malayi	CCG1-interacting factor B	0.0053	0.0028	0.0054
Echinococcus multilocularis	protein phosphatase methylesterase 1	0.0053	0.0028	0.0054
Brugia malayi	amidase	0.1062	0.2394	1
Toxoplasma gondii	chain a, pp2a-specific methylesterase apo form (pme), putative	0.0053	0.0028	1
Trypanosoma brucei	Ankyrin repeats (many copies)/Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Trichomonas vaginalis	valacyclovir hydrolase, putative	0.0875	0.1955	1
Echinococcus granulosus	monoacylglycerol lipase abhd12	0.0052	0.0025	0.004
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0875	0.1955	1
Trypanosoma brucei	fatty-acid amide hydrolase, putative	0.0128	0.0204	0.0929
Schistosoma mansoni	peptidase	0.0052	0.0025	0.0075
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0052	0.0025	0.0075
Echinococcus multilocularis	abhydrolase domain containing protein 13	0.0053	0.0028	0.0054
Brugia malayi	hydrolase, alpha/beta fold family protein	0.0053	0.0028	0.0054
Mycobacterium tuberculosis	Unknown protein	0.0053	0.0028	0.0013
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0053	0.0028	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0025	0.004
Plasmodium falciparum	lysophospholipase, putative	0.0875	0.1955	1
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0053	0.0028	0.0013
Plasmodium falciparum	glutamyl-tRNA(Gln) amidotransferase subunit A	0.0128	0.0204	0.0929
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Mycobacterium leprae	POSSIBLE LYSOPHOSPHOLIPASE	0.0928	0.208	1
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0875	0.1955	1
Echinococcus granulosus	maspardin	0.0053	0.0028	0.0054
Mycobacterium ulcerans	lysophospholipase	0.0875	0.1955	0.1936
Schistosoma mansoni	family S9 unassigned peptidase (S09 family)	0.0052	0.0025	0.0075
Echinococcus multilocularis	fatty acid amide hydrolase 1	0.0128	0.0204	0.0794
Brugia malayi	putative amidase	0.0128	0.0204	0.0794
Brugia malayi	MGC83647 protein	0.0052	0.0025	0.004
Toxoplasma gondii	hypothetical protein	0.0053	0.0028	1
Leishmania major	monoglyceride lipase, putative	0.0875	0.1955	1
Brugia malayi	Amidase family protein	0.0128	0.0204	0.0794
Mycobacterium ulcerans	hypothetical protein	0.0053	0.0028	0.0003
Trypanosoma brucei	monoglyceride lipase, putative	0.0875	0.1955	1
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0025	0.004
Mycobacterium ulcerans	2-hydroxy-6-oxo-6-phenylhexa-2,4-dienoate hydrolase BphD	0.4308	1	1
Leishmania major	hypothetical protein, conserved	0.0128	0.0204	0.0929
Mycobacterium ulcerans	peptide amidase, GatA	0.0128	0.0204	0.018
Trichomonas vaginalis	Clan SC, family S33, methylesterase-like serine peptidase	0.0875	0.1955	1
Giardia lamblia	Hypothetical protein	0.0053	0.0028	1
Plasmodium vivax	PST-A protein	0.0875	0.1955	1
Mycobacterium leprae	PROBABLE GLUTAMYL-TRNA(GLN) AMIDOTRANSFERASE (SUBUNIT A) GATA (Glu-ADT SUBUNIT A)	0.0128	0.0204	0.0858
Mycobacterium ulcerans	hydrolase	0.0053	0.0028	0.0003
Schistosoma mansoni	fatty-acid amide hydrolase	0.1062	0.2394	1
Toxoplasma gondii	hypothetical protein	0.0053	0.0028	1
Mycobacterium tuberculosis	Probable haloalkane dehalogenase	0.0053	0.0028	0.0013
Schistosoma mansoni	protein phosphatase methylesterase 1 (S33 family)	0.0053	0.0028	0.0089
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0052	0.0025	0.0009
Trypanosoma cruzi	amidase, putative	0.0128	0.0204	0.0929
Mycobacterium tuberculosis	Probable oxidoreductase	0.0053	0.0028	0.0013
Mycobacterium tuberculosis	Probable amidase AmiC (aminohydrolase)	0.0128	0.0204	0.0189
Trypanosoma cruzi	amidase, putative	0.0128	0.0204	0.0929
Mycobacterium ulcerans	amidase	0.0128	0.0204	0.018
Mycobacterium tuberculosis	Probable epoxide hydrolase MesT (epoxide hydratase) (arene-oxide hydratase)	0.0053	0.0028	0.0013
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0025	0.004
Mycobacterium tuberculosis	Probable hydrolase	0.0053	0.0028	0.0013
Loa Loa (eye worm)	CCG1-interacting factor B	0.0053	0.0028	0.0054
Trypanosoma brucei	Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Leishmania major	hypothetical protein, conserved	0.0053	0.0028	0.0017
Mycobacterium ulcerans	epoxide hydrolase EphC	0.0053	0.0028	0.0003
Brugia malayi	Amidase family protein	0.0128	0.0204	0.0794
Brugia malayi	protein phosphatase methylesterase 1	0.0053	0.0028	0.0054
Mycobacterium tuberculosis	Possible hydrolase	0.0053	0.0028	0.0013
Entamoeba histolytica	hydrolase, alpha/beta fold family domain containing protein	0.0875	0.1955	1
Trypanosoma cruzi	Alpha/beta hydrolase family, putative	0.0053	0.0028	0.0017
Plasmodium vivax	glutamyl-tRNA(Gln) amidotransferase subunit A, putative	0.0128	0.0204	0.0929
Mycobacterium ulcerans	hydrolase	0.0053	0.0028	0.0003
Mycobacterium ulcerans	hydrolase	0.0053	0.0028	0.0003

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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 825923