TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 345.438 | Formula: C22H23N3O
H donors: 1 H acceptors: 1 LogP: 4.27 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: C=CCC(N1C(=NC(C1=O)(c1ccccc1)c1ccccc1)N)CC=C
InChi: 1S/C22H23N3O/c1-3-11-19(12-4-2)25-20(26)22(24-21(25)23,17-13-7-5-8-14-17)18-15-9-6-10-16-18/h3-10,13-16,19H,1-2,11-12H2,(H2,23,24)
InChiKey: ASSIZYLTVLTGGH-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)	hypothetical protein	0.0053	0.1026	0.2349
Brugia malayi	Pyridine nucleotide-disulphide oxidoreductase, dimerisation domain containing protein	0.0012	0.0058	0.0134
Schistosoma mansoni	hypothetical protein	0.0437	1	1
Brugia malayi	Trypsin family protein	0.0101	0.2135	0.4898
Trypanosoma brucei	trypanothione reductase	0.0047	0.0871	0.1696
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0118	0.2545	1
Schistosoma mansoni	farnesylated-protein converting enzyme 1 (M48 family)	0.0073	0.1476	0.1441
Echinococcus granulosus	dihydrolipoamide dehydrogenase	0.0016	0.0159	0.0156
Mycobacterium tuberculosis	Probable oxidoreductase	0.0118	0.2545	1
Plasmodium vivax	glutathione reductase, putative	0.0047	0.0871	1
Entamoeba histolytica	CAAX prenyl protease, putative	0.0073	0.1476	0.2219
Brugia malayi	Thioredoxin reductase	0.0047	0.0871	0.1998
Brugia malayi	MH2 domain containing protein	0.0118	0.2533	0.5811
Trypanosoma cruzi	metallo- peptidase, Clan M- Family M48	0.0073	0.1476	0.3137
Mycobacterium ulcerans	flavoprotein disulfide reductase	0.0016	0.0159	0.1405
Entamoeba histolytica	CAAX prenyl protease family	0.0196	0.436	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0362	0.2855
Trypanosoma cruzi	trypanothione reductase, putative	0.0047	0.0871	0.1696
Plasmodium falciparum	glutathione reductase	0.0047	0.0871	1
Loa Loa (eye worm)	glutathione reductase	0.0047	0.0871	0.1993
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0053	0.1026	0.2354
Schistosoma mansoni	hypothetical protein	0.0017	0.0175	0.0134
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0341	0.0641
Schistosoma mansoni	hypothetical protein	0.0348	0.7921	0.7913
Brugia malayi	alpha keto acid dehydrogenase complex, E3 component, lipoamide dehydrogenase	0.0012	0.0058	0.0134
Schistosoma mansoni	hypothetical protein	0.0017	0.0175	0.0134
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0654	0.137
Leishmania major	hypothetical protein, conserved	0.0025	0.0362	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2135	0.4895
Toxoplasma gondii	thioredoxin reductase	0.0047	0.0871	0.5406
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.004	0.0726	0.2661
Brugia malayi	hypothetical protein	0.0025	0.0362	0.083
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0011	0.0042	0.0039
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0175	0.0172
Leishmania major	CAAX prenyl protease 1, putative,metallo-peptidase, Clan M-, Family M48	0.0073	0.1476	0.3137
Plasmodium vivax	basic transcription factor 3b, putative	0.0037	0.0654	0.6958
Mycobacterium tuberculosis	Probable conserved integral membrane protein	0.004	0.0726	0.2661
Toxoplasma gondii	LsmAD domain-containing protein	0.0025	0.0362	0.1543
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0498	0.1137
Mycobacterium tuberculosis	Probable reductase	0.0106	0.2268	0.8881
Plasmodium falciparum	protease, putative	0.004	0.0726	0.7959
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0053	0.1026	0.2349
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0106	0.2268	0.8881
Mycobacterium ulcerans	hypothetical protein	0.004	0.0726	1
Echinococcus granulosus	geminin	0.0348	0.7921	0.7921
Mycobacterium ulcerans	integral membrane protein	0.004	0.0726	1
Onchocerca volvulus		0.0101	0.2135	1
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0118	0.2545	1
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	0.0073	0.1476	0.3285
Toxoplasma gondii	CAAX metallo endopeptidase	0.0073	0.1476	1
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0101	0.2135	0.2103
Echinococcus multilocularis	geminin	0.0348	0.7921	0.7921
Toxoplasma gondii	hypothetical protein	0.004	0.0726	0.4303
Echinococcus granulosus	transcription factor btf3	0.0037	0.0654	0.0652
Loa Loa (eye worm)	thioredoxin reductase	0.0047	0.0871	0.1993
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0175	0.0395
Plasmodium falciparum	ataxin-2 like protein, putative	0.0025	0.0362	0.2855
Brugia malayi	CAAX amino terminal protease family protein	0.0196	0.436	1
Echinococcus multilocularis	transcription factor btf3	0.0037	0.0654	0.0652
Trypanosoma brucei	CAAX amino terminal protease, putative	0.0196	0.436	1
Echinococcus granulosus	CAAX prenyl protease 2	0.0196	0.436	0.4358
Echinococcus multilocularis	dnaJ subfamily B	0.0437	1	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.0047	0.0871	0.0868
Schistosoma mansoni	hypothetical protein	0.0348	0.7921	0.7913
Plasmodium vivax	ataxin-2 like protein, putative	0.0025	0.0362	0.2855
Brugia malayi	hypothetical protein	0.0016	0.0156	0.0358
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0362	0.0824
Trypanosoma brucei	PAB1-binding protein , putative	0.0025	0.0362	0.0484
Loa Loa (eye worm)	peptidase family M48 containing protein	0.0073	0.1476	0.3382
Loa Loa (eye worm)	MH2 domain-containing protein	0.0118	0.2533	0.5809
Schistosoma mansoni	transcription factor btf3	0.0037	0.0654	0.0615
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0175	0.0172
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0106	0.2268	0.8881
Leishmania major	CAAX prenyl protease 2, putative,peptidase with unknown catalytic mechanism (family U48)	0.0196	0.436	1
Giardia lamblia	Hypothetical protein	0.0196	0.436	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0011	0.0042	0.0039
Toxoplasma gondii	hypothetical protein	0.004	0.0726	0.4303
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0118	0.2545	1
Trypanosoma cruzi	CAAX prenyl protease 1, putative	0.0073	0.1476	0.3137
Mycobacterium tuberculosis	Conserved hypothetical protein	0.004	0.0726	0.2661
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0175	0.0172
Echinococcus multilocularis	dihydrolipoamide dehydrogenase	0.0016	0.0159	0.0156
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0362	0.0484
Mycobacterium tuberculosis	Probable soluble pyridine nucleotide transhydrogenase SthA (STH) (NAD(P)(+) transhydrogenase [B-specific]) (nicotinamide nucleot	0.0016	0.0159	0.0374
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2135	0.4895
Schistosoma mansoni	cpg binding protein	0.0032	0.0539	0.05
Echinococcus granulosus	caax prenyl protease 1	0.0073	0.1476	0.1474
Chlamydia trachomatis	hypothetical protein	0.004	0.0726	1
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0106	0.2268	0.8881
Mycobacterium tuberculosis	Probable integral membrane protein	0.004	0.0726	0.2661
Schistosoma mansoni	dihydrolipoamide dehydrogenase	0.0016	0.0159	0.0118
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0498	0.1143
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0175	0.0401
Trypanosoma cruzi	peptidase with unknown catalytic mechanism (family U48)	0.0196	0.436	1
Plasmodium falciparum	basic transcription factor 3b, putative	0.0037	0.0654	0.6958
Trypanosoma cruzi	PAB1-binding protein , putative	0.0025	0.0362	0.0484
Brugia malayi	dihydrolipoyl dehydrogenase, mitochondrial precursor, putative	0.0016	0.0159	0.0364
Schistosoma mansoni	hypothetical protein	0.0017	0.0175	0.0134
Loa Loa (eye worm)	hypothetical protein	0.0196	0.436	1
Trypanosoma brucei	metallo- peptidase, Clan M- Family M48	0.0073	0.1476	0.3137
Toxoplasma gondii	NAC domain-containing protein	0.0037	0.0654	0.3762
Echinococcus multilocularis	cpg binding protein	0.0032	0.0539	0.0537
Mycobacterium ulcerans	hypothetical protein	0.004	0.0726	1
Entamoeba histolytica	CAAX amino terminal protease family	0.004	0.0726	0.0192
Toxoplasma gondii	CAAX amino terminal protease family protein	0.004	0.0726	0.4303
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0196	0.436	0.4336
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0654	0.137
Plasmodium vivax	thioredoxin reductase, putative	0.0047	0.0871	1
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0106	0.2268	0.8881
Echinococcus granulosus	cpg binding protein	0.0032	0.0539	0.0537
Schistosoma mansoni	family U48 unassigned peptidase (U48 family)	0.0196	0.436	0.4336
Loa Loa (eye worm)	ICD-1 protein	0.0037	0.0654	0.1495
Loa Loa (eye worm)	transcription factor SMAD2	0.0118	0.2533	0.5809
Trypanosoma cruzi	transcription factor btf3, putative	0.0037	0.0654	0.118
Trichomonas vaginalis	conserved hypothetical protein	0.0024	0.0341	0.0641
Brugia malayi	glutathione reductase	0.0047	0.0871	0.1998
Trichomonas vaginalis	mercuric reductase, putative	0.0016	0.0159	0.0216
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0053	0.1026	0.2354
Schistosoma mansoni	cpg binding protein	0.0032	0.0539	0.05
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0159	1
Leishmania major	trypanothione reductase	0.0047	0.0871	0.1696
Echinococcus granulosus	GPCR family 2	0.0017	0.0175	0.0172
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0175	0.0172
Plasmodium vivax	protease, putative	0.004	0.0726	0.7959
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0632	0.1445
Schistosoma mansoni	hypothetical protein	0.0017	0.0175	0.0134
Trypanosoma cruzi	transcription factor btf3, putative	0.0037	0.0654	0.118
Schistosoma mansoni	subfamily S1A unassigned peptidase (S01 family)	0.0101	0.2135	0.2103
Trichomonas vaginalis	Clan MA, family M48, Ste24 endopeptidase-like metallopeptidase	0.0073	0.1476	0.3285
Schistosoma mansoni	cpg binding protein	0.0031	0.0498	0.0459
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0175	0.0172
Trichomonas vaginalis	Clan U, family U48, CaaX prenyl peptidase 2-like	0.0196	0.436	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0036	0.0632	0.145
Mycobacterium tuberculosis	Probable dehydrogenase	0.0106	0.2268	0.8881
Trichomonas vaginalis	glutathione reductase, putative	0.0016	0.0159	0.0216
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0058	0.114	0.7449
Plasmodium falciparum	thioredoxin reductase	0.0047	0.0871	1
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase, LpdB	0.0016	0.0159	0.1405
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0106	0.2268	0.8881
Entamoeba histolytica	CAAX amino terminal protease family	0.004	0.0726	0.0192
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0175	0.0395
Schistosoma mansoni	hypothetical protein	0.0036	0.0632	0.0593
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.0047	0.0871	0.3247
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0065	0.1303	0.1267
Brugia malayi	Peptidase family M48 containing protein	0.0073	0.1476	0.3387
Trypanosoma cruzi	CAAX prenyl protease 2, putative	0.0196	0.436	1
Brugia malayi	beta-NAC-like protein	0.0037	0.0654	0.1501
Leishmania major	basic transcription factor 3a, putative	0.0037	0.0654	0.118
Echinococcus multilocularis	CAAX prenyl protease 2	0.0196	0.436	0.4358
Echinococcus multilocularis	caax prenyl protease 1	0.0073	0.1476	0.1474
Wolbachia endosymbiont of Brugia malayi	dihydrolipoamide dehydrogenase E3 component	0.0016	0.0159	1
Trypanosoma brucei	transcription factor BTF3, putative	0.0037	0.0654	0.118
Treponema pallidum	hypothetical protein	0.004	0.0726	1
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0654	0.137
Mycobacterium ulcerans	dihydrolipoamide dehydrogenase	0.0016	0.0159	0.1405
Echinococcus multilocularis	thioredoxin glutathione reductase	0.0047	0.0871	0.0868
Onchocerca volvulus		0.0094	0.1982	0.9062
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0175	0.0401

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: CHEMBL586849

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 1084532