TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 456.46 | Formula: C24H23F3N4O2
H donors: 1 H acceptors: 2 LogP: 3.88 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CNC1(CC1)c1ccc(cc1)N1CCc2c(C1=O)n(nc2C(F)(F)F)c1ccc(cc1)OC
InChi: 1S/C24H23F3N4O2/c1-28-23(12-13-23)15-3-5-16(6-4-15)30-14-11-19-20(22(30)32)31(29-21(19)24(25,26)27)17-7-9-18(33-2)10-8-17/h3-10,28H,11-14H2,1-2H3
InChiKey: ASNFXLPQFSSBOK-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	Conserved protein	0.0083	0.0503	0.0829
Trichomonas vaginalis	D-aminoacylase, putative	0.0083	0.0503	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.1182	0.1555
Plasmodium vivax	bifunctional dihydrofolate reductase-thymidylate synthase, putative	0.0131	0.1087	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.1182	0.2511
Echinococcus multilocularis	glutamate receptor subunit protein glur	0.0086	0.0535	0.1128
Trypanosoma cruzi	dihydrofolate reductase-thymidylate synthase	0.0131	0.1087	0.1087
Echinococcus granulosus	beta LACTamase domain containing family member	0.0083	0.0503	0.1059
Echinococcus granulosus	glutamate receptor ionotrophic AMPA 3	0.0254	0.2617	0.5575
Loa Loa (eye worm)	beta-lactamase	0.0083	0.0503	0.0503
Echinococcus multilocularis	glutamate receptor 2	0.0232	0.2347	0.4998
Loa Loa (eye worm)	hypothetical protein	0.0169	0.1562	0.1562
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0503	0.0503
Trichomonas vaginalis	esterase, putative	0.0083	0.0503	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0083	0.0503	0.0503
Trichomonas vaginalis	penicillin-binding protein, putative	0.0083	0.0503	0.5
Brugia malayi	beta-lactamase family protein	0.0083	0.0503	0.0503
Trypanosoma brucei	C-8 sterol isomerase, putative	0.0851	1	1
Schistosoma mansoni	dihydrofolate reductase	0.0342	0.3698	0.7313
Schistosoma mansoni	glutamate receptor kainate	0.0232	0.2347	0.422
Toxoplasma gondii	ABC1 family protein	0.0083	0.0503	0.4625
Trichomonas vaginalis	D-aminoacylase, putative	0.0083	0.0503	0.5
Schistosoma mansoni	ATP-binding cassette transporter	0.0232	0.2347	0.422
Trichomonas vaginalis	penicillin-binding protein, putative	0.0083	0.0503	0.5
Echinococcus multilocularis	glutamate receptor, ionotrophic, AMPA 3	0.0254	0.2617	0.5575
Brugia malayi	dihydrofolate reductase family protein	0.0342	0.3698	0.3698
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0503	0.0503
Echinococcus granulosus	glutamate receptor ionotropic kainate 3	0.0086	0.0535	0.1128
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0083	0.0503	0.0829
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0254	0.2617	0.5575
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0254	0.2617	0.5575
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0254	0.2617	0.5575
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0108	0.0812	0.134
Mycobacterium tuberculosis	Probable lipase LipD	0.0083	0.0503	0.0829
Loa Loa (eye worm)	dihydrofolate reductase	0.0342	0.3698	0.3698
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0254	0.2617	0.5575
Mycobacterium ulcerans	dihydrofolate reductase DfrA	0.0342	0.3698	1
Schistosoma mansoni	glutamate receptor NMDA	0.0436	0.4872	1
Echinococcus multilocularis	Ribosomal protein S1, RNA binding domain	0.0086	0.0535	0.1128
Trypanosoma brucei	dihydrofolate reductase-thymidylate synthase	0.0131	0.1087	0.1087
Schistosoma mansoni	hypothetical protein	0.0165	0.1507	0.2298
Echinococcus multilocularis	glutamate receptor 2	0.0168	0.1553	0.3302
Brugia malayi	Glutamate receptor 1 precursor	0.0232	0.2347	0.2347
Mycobacterium leprae	DIHYDROFOLATE REDUCTASE DFRA (DHFR) (TETRAHYDROFOLATE DEHYDROGENASE)	0.0342	0.3698	1
Schistosoma mansoni	hypothetical protein	0.0165	0.1507	0.2298
Mycobacterium tuberculosis	Probable lipase LipE	0.0083	0.0503	0.0829
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 3	0.0086	0.0535	0.1128
Loa Loa (eye worm)	transcription factor SMAD2	0.0135	0.1141	0.1141
Leishmania major	C-8 sterol isomerase-like protein	0.0851	1	1
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0503	0.0503
Leishmania major	dihydrofolate reductase-thymidylate synthase	0.0131	0.1087	0.1087
Schistosoma mansoni	glutamate receptor kainate	0.0232	0.2347	0.422
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0083	0.0503	0.0503
Loa Loa (eye worm)	glutamate receptor 2	0.0232	0.2347	0.2347
Mycobacterium tuberculosis	Dihydrofolate reductase DfrA (DHFR) (tetrahydrofolate dehydrogenase)	0.0342	0.3698	0.6099
Chlamydia trachomatis	dihydrofolate reductase	0.0342	0.3698	0.5
Schistosoma mansoni	glutamate receptor kainate	0.0232	0.2347	0.422
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0533	0.6064	1
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0083	0.0503	0.0829
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0098	0.0678	0.1118
Brugia malayi	beta-lactamase family protein	0.0083	0.0503	0.0503
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0138	0.1182	0.1182
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0098	0.0678	0.1118
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.1182	0.1555
Mycobacterium tuberculosis	Probable dehydrogenase	0.0098	0.0678	0.1118
Echinococcus multilocularis	Glutamate receptor, ionotropic kainate 2	0.0254	0.2617	0.5575
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0083	0.0503	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0503	0.0503
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0503	0.0503
Echinococcus granulosus	glutamate NMDA receptor subunit	0.0422	0.4688	1
Echinococcus multilocularis	glutamate receptor ionotropic kainate	0.0086	0.0535	0.1128
Echinococcus multilocularis	glutamate receptor 2	0.0254	0.2617	0.5575
Leishmania major	hypothetical protein, conserved	0.0083	0.0503	0.0503
Brugia malayi	hypothetical protein	0.0169	0.1562	0.1562
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0108	0.0812	0.0969
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0098	0.0678	0.0547
Mycobacterium tuberculosis	Probable esterase LipL	0.0083	0.0503	0.0829
Echinococcus multilocularis	nmda type glutamate receptor	0.0204	0.1996	0.425
Loa Loa (eye worm)	MH2 domain-containing protein	0.0135	0.1141	0.1141
Plasmodium vivax	hypothetical protein, conserved	0.0083	0.0503	0.4625
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.1182	0.2511
Loa Loa (eye worm)	glutamate receptor 1	0.0232	0.2347	0.2347
Echinococcus granulosus	nmda type glutamate receptor	0.0204	0.1996	0.425
Loa Loa (eye worm)	hypothetical protein	0.0851	1	1
Echinococcus multilocularis	glutamate (NMDA) receptor subunit	0.0422	0.4688	1
Echinococcus granulosus	glutamate receptor subunit protein glur	0.0086	0.0535	0.1128
Brugia malayi	Glutamate receptor 2 precursor	0.0232	0.2347	0.2347
Trypanosoma cruzi	hypothetical protein, conserved	0.0083	0.0503	0.0503
Mycobacterium tuberculosis	Probable oxidoreductase	0.0108	0.0812	0.134
Schistosoma mansoni	hypothetical protein	0.0086	0.0535	0.0074
Schistosoma mansoni	glutamate receptor AMPA	0.0232	0.2347	0.422
Mycobacterium tuberculosis	Probable hydrolase	0.0083	0.0503	0.0829
Mycobacterium tuberculosis	Probable reductase	0.0098	0.0678	0.1118
Echinococcus multilocularis	geminin	0.0165	0.1507	0.3204
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0138	0.1182	0.1555
Trypanosoma brucei	hypothetical protein, conserved	0.0083	0.0503	0.0503
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0083	0.0503	0.0829
Mycobacterium tuberculosis	Conserved protein	0.0083	0.0503	0.0829
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0108	0.0812	0.134
Brugia malayi	beta-lactamase	0.0083	0.0503	0.0503
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0138	0.1182	0.2511
Echinococcus granulosus	glutamate receptor ionotropic kainate	0.0086	0.0535	0.1128
Brugia malayi	MH2 domain containing protein	0.0135	0.1141	0.1141
Echinococcus granulosus	glutamate receptor NMDA	0.0182	0.1726	0.3672
Echinococcus multilocularis	dihydrofolate reductase	0.0342	0.3698	0.7885
Mycobacterium tuberculosis	Conserved protein	0.0083	0.0503	0.0829
Echinococcus granulosus	dihydrofolate reductase	0.0342	0.3698	0.7885
Echinococcus multilocularis	NMDA receptor	0.0086	0.0535	0.1128
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0098	0.0678	0.1118
Echinococcus granulosus	geminin	0.0165	0.1507	0.3204
Loa Loa (eye worm)	hypothetical protein	0.0435	0.4852	0.4852
Echinococcus multilocularis	nmda type glutamate receptor	0.0268	0.279	0.5945
Trypanosoma cruzi	C-8 sterol isomerase, putative	0.0851	1	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0138	0.1182	0.2511
Onchocerca volvulus		0.0169	0.1562	1
Echinococcus granulosus	Ribosomal protein S1 RNA binding domain	0.0086	0.0535	0.1128
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0503	0.0503
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0098	0.0678	0.1118
Echinococcus granulosus	nmda type glutamate receptor	0.0268	0.279	0.5945
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0083	0.0503	0.1059
Brugia malayi	Dihydrofolate reductase	0.0342	0.3698	0.3698
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0138	0.1182	0.1182
Schistosoma mansoni	glutamate receptor AMPA	0.0232	0.2347	0.422
Toxoplasma gondii	bifunctional dihydrofolate reductase-thymidylate synthase	0.0131	0.1087	1
Schistosoma mansoni	glutamate receptor NMDA	0.0422	0.4688	0.9579
Plasmodium falciparum	bifunctional dihydrofolate reductase-thymidylate synthase	0.0131	0.1087	1
Echinococcus granulosus	glutamate receptor 2	0.0254	0.2617	0.5575
Echinococcus granulosus	Glutamate receptor ionotropic kainate 2	0.0254	0.2617	0.5575
Echinococcus granulosus	glutamate receptor 2	0.0168	0.1553	0.3302
Echinococcus multilocularis	glutamate receptor NMDA	0.0182	0.1726	0.3672
Trichomonas vaginalis	D-aminoacylase, putative	0.0083	0.0503	0.5

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: CHEMBL1187754

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1142439