TDR Targets

Basic information

Technical information

TDR Targets ID: 770528
Name: A3621/0153576
MW: 287.332 | Formula: C16H18FN3O
H donors: 0 H acceptors: 1 LogP: 1.54 Rotable bonds: 2
Rule of 5 violations (Lipinski): 1
SMILES: Fc1cccc(c1)C1C2N3CCC(C2=NN1C(=O)C)CC3
InChi: 1S/C16H18FN3O/c1-10(21)20-15(12-3-2-4-13(17)9-12)16-14(18-20)11-5-7-19(16)8-6-11/h2-4,9,11,15-16H,5-8H2,1H3
InChiKey: AMKPEJUFTYNKOF-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

BAS 07324867

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	MBOAT family protein	0.024	0.2821	1
Echinococcus granulosus	neuropeptide s receptor	0.0459	0.5616	1
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0021	0.0015	0.0027
Echinococcus multilocularis	neuropeptide s receptor	0.0459	0.5616	0.5616
Echinococcus multilocularis	protein cysteine N palmitoyltransferase	0.024	0.2821	0.2821
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0476	1
Brugia malayi	hypothetical protein	0.0234	0.274	0.9713
Loa Loa (eye worm)	membrane bound O-acyltransferase domain containing 1	0.0021	0.0015	0.0054
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0021	0.0015	0.0027
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0206	1
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0057	0.0476	1
Brugia malayi	Hhat protein	0.0021	0.0015	0.0054
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0206	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0206	0.073
Echinococcus granulosus	sterol O acyltransferase 1	0.0021	0.0015	0.0027
Onchocerca volvulus		0.0036	0.0206	0.5712
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0057	0.0476	0.1687
Schistosoma mansoni	hypothetical protein	0.0048	0.036	0.1278
Brugia malayi	follicle stimulating hormone receptor	0.0232	0.2708	0.9602
Brugia malayi	MBOAT family protein	0.0021	0.0015	0.0054
Loa Loa (eye worm)	MBOAT family protein	0.024	0.2821	1
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0057	0.0476	1
Echinococcus multilocularis	neuropeptide receptor A26	0.0459	0.5616	0.5616
Brugia malayi	beta-lactamase	0.0036	0.0206	0.073
Echinococcus multilocularis	diacylglycerol O acyltransferase 1	0.0021	0.0015	0.0015
Echinococcus granulosus	neuropeptide receptor A26	0.0459	0.5616	1
Schistosoma mansoni	leukocyte receptor cluster (lrc) member 4 protein	0.0021	0.0015	0.0054
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0021	0.0015	0.0054
Brugia malayi	MBOAT family protein	0.0021	0.0015	0.0054
Schistosoma mansoni	lipoxygenase	0.0055	0.0449	0.159
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0015	0.0054
Entamoeba histolytica	vacuolar protein sorting 26	0.0021	0.0015	0.5
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0206	0.073
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0206	0.073
Schistosoma mansoni	zinc finger protein	0.024	0.2821	1
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0021	0.0015	0.0015
Echinococcus granulosus	membrane bound acyltransferase:hhat	0.0021	0.0015	0.0027
Brugia malayi	beta-lactamase family protein	0.0036	0.0206	0.073
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.0449	0.0449
Trypanosoma brucei	hypothetical protein, conserved	0.0036	0.0206	1
Echinococcus granulosus	zinc finger protein	0.022	0.2556	0.4552
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0206	0.073
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0021	0.0015	0.0054
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0021	0.0015	0.5
Onchocerca volvulus		0.0021	0.0015	0.0425
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0206	1
Entamoeba histolytica	hypothetical protein	0.0021	0.0015	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0206	1
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0476	0.0476
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0206	0.0206
Schistosoma mansoni	diacylglycerol O-acyltransferase 1	0.0021	0.0015	0.0054
Loa Loa (eye worm)	MBOAT family protein	0.0021	0.0015	0.0054
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0021	0.0015	0.0015
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0206	1
Brugia malayi	MBOAT family protein	0.0021	0.0015	0.0054
Echinococcus multilocularis	Membrane bound O acyl transferase, MBOAT	0.0021	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0206	0.073
Brugia malayi	diacylglycerol acyltransferase	0.0021	0.0015	0.0054
Trichomonas vaginalis	esterase, putative	0.0036	0.0206	1
Echinococcus multilocularis	membrane bound acyltransferase:hhat	0.0021	0.0015	0.0015
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0021	0.0015	0.5
Loa Loa (eye worm)	hhat protein	0.0021	0.0015	0.0054
Echinococcus multilocularis	sterol O acyltransferase 1	0.0021	0.0015	0.0015
Plasmodium falciparum	diacylglycerol O-acyltransferase	0.0021	0.0015	1
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0015	0.0054
Echinococcus granulosus	Membrane bound O acyl transferase MBOAT	0.0021	0.0015	0.0027
Echinococcus multilocularis	lysophospholipid acyltransferase 7	0.0021	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0206	0.073
Entamoeba histolytica	membrane-bound O-acyltransferase (MBOAT ) family protein	0.0021	0.0015	0.5
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0206	0.5
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0206	0.073
Echinococcus multilocularis	survival motor neuron protein 1	0.0234	0.274	0.274
Loa Loa (eye worm)	diacylglycerol acyltransferase	0.0021	0.0015	0.0054
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.0449	0.0799
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0053	0.0427	0.1514
Onchocerca volvulus		0.0036	0.0206	0.5712
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0015	0.0054
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0057	0.0476	0.0847
Schistosoma mansoni	survival motor neuron protein	0.0048	0.036	0.1278
Echinococcus granulosus	lysophospholipid acyltransferase 7	0.0021	0.0015	0.0027
Echinococcus multilocularis	o acyltransferase (membrane bound) domain	0.0021	0.0015	0.0015
Loa Loa (eye worm)	hypothetical protein	0.0234	0.274	0.9713
Schistosoma mansoni	o-acyltransferase (membrane bound) domain containing protein	0.0021	0.0015	0.0054
Onchocerca volvulus		0.0048	0.036	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0206	0.073
Entamoeba histolytica	hypothetical protein, conserved	0.0021	0.0015	0.5
Echinococcus granulosus	protein cysteine N palmitoyltransferase	0.024	0.2821	0.5023
Loa Loa (eye worm)	MBOAT family protein	0.0021	0.0015	0.0054
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0206	0.5
Onchocerca volvulus		0.0036	0.0206	0.5712
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.036	0.1278
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0206	1
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0232	0.2708	0.9602
Schistosoma mansoni	sterol O-acyltransferase 1	0.0021	0.0015	0.0054
Trypanosoma cruzi	hypothetical protein, conserved	0.0036	0.0206	1
Loa Loa (eye worm)	hhat protein	0.0021	0.0015	0.0054
Schistosoma mansoni	hypothetical protein	0.0021	0.0015	0.0054
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0015	0.0054
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0206	0.0367
Brugia malayi	beta-lactamase family protein	0.0036	0.0206	0.073
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0206	0.073
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0206	0.073
Brugia malayi	MBOAT family protein	0.0021	0.0015	0.0054
Echinococcus granulosus	o acyltransferase membrane bound domain	0.0021	0.0015	0.0027
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0206	0.073
Toxoplasma gondii	ABC1 family protein	0.0036	0.0206	1
Echinococcus multilocularis	zinc finger protein	0.022	0.2556	0.2556
Treponema pallidum	alginate O-acetylation protein (algI)	0.0021	0.0015	0.5
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0206	1
Echinococcus granulosus	survival motor neuron protein 1	0.0234	0.274	0.4879
Schistosoma mansoni	membrane-bound acyltransferase/hhat	0.0021	0.0015	0.0054
Echinococcus granulosus	diacylglycerol O acyltransferase 1	0.0021	0.0015	0.0027
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0057	0.0476	0.1687
Plasmodium vivax	diacylglycerol O-acyltransferase, putative	0.0021	0.0015	0.0745
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0057	0.0476	0.1101
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.2658	1
Leishmania major	hypothetical protein, conserved	0.0036	0.0206	0.4137

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 770528