TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 421.961 | Formula: C22H32ClN3O3
H donors: 1 H acceptors: 2 LogP: 2.54 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CN1CCN(CC1)CCC(=O)N[C@H]1C(=O)CC[C@@]2([C@H]1Oc1c2cc(cc1)C)C.Cl
InChi: 1S/C22H31N3O3.ClH/c1-15-4-5-18-16(14-15)22(2)8-6-17(26)20(21(22)28-18)23-19(27)7-9-25-12-10-24(3)11-13-25;/h4-5,14,20-21H,6-13H2,1-3H3,(H,23,27);1H/t20-,21-,22-;/m0./s1
InChiKey: JHUKRUZOALJPOD-SGIIKHNDSA-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
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.1584	1
Schistosoma mansoni	brg-1 associated factor	0.018	0.5527	1
Onchocerca volvulus		0.018	0.5527	1
Leishmania major	hypothetical protein, conserved	0.0064	0.1584	1
Leishmania major	hypothetical protein, conserved	0.0064	0.1584	1
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0025	0.0254	0.0459
Mycobacterium tuberculosis	NAD(P)H quinone reductase LpdA	0.0127	0.3752	0.819
Trypanosoma brucei	mitochondrial RNA binding complex 1 subunit	0.0064	0.1584	1
Brugia malayi	jmjC domain containing protein	0.0102	0.2867	0.5187
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1584	0.2213
Onchocerca volvulus		0.0064	0.1584	0.2213
Giardia lamblia	Fructose-bisphosphate aldolase	0.0311	1	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0064	0.1584	0.2865
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.1584	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0064	0.1584	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0088	0.242	0.4378
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0031	0.0463	0.0837
Echinococcus multilocularis	SWI:SNF matrix associated	0.018	0.5527	1
Plasmodium vivax	hypothetical protein, conserved	0.018	0.5527	1
Leishmania major	trypanothione reductase	0.005	0.112	0.7073
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0064	0.1584	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	1	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0038	0.0685	0.124
Brugia malayi	YY1-associated factor 2	0.0064	0.1584	0.2865
Mycobacterium ulcerans	phosphopantetheinyl transferase, PptII	0.0025	0.0254	0.0554
Schistosoma mansoni	hypothetical protein	0.0031	0.0463	0.0837
Toxoplasma gondii	4'-phosphopantetheinyl transferase superfamily protein	0.0025	0.0254	0.0459
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0031	0.0463	0.0837
Echinococcus multilocularis	Upstream activation factor subunit UAF30	0.018	0.5527	1
Echinococcus multilocularis	SWI:SNF matrix associated	0.018	0.5527	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1584	0.2213
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1584	0.2213
Wolbachia endosymbiont of Brugia malayi	4'-phosphopantetheinyl transferase	0.0025	0.0254	1
Mycobacterium leprae	DIHYDROLIPOAMIDE DEHYDROGENASE LPD (LIPOAMIDE REDUCTASE (NADH)) (LIPOYL DEHYDROGENASE) (DIHYDROLIPOYL DEHYDROGENASE) (DIAPHORASE	0.0127	0.3752	0.8084
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	1	1
Mycobacterium ulcerans	4'-phosphopantetheinyl transferase	0.0025	0.0254	0.0554
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0064	0.1584	1
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0088	0.242	0.4378
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0064	0.1584	0.2865
Trypanosoma brucei	hypothetical protein, conserved	0.0025	0.0254	0.1602
Giardia lamblia	PHD finger protein 15	0.0031	0.0463	0.0463
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0685	0.124
Brugia malayi	jmjC domain containing protein	0.0038	0.0685	0.124
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	1	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0038	0.0685	0.124
Echinococcus granulosus	jumonji domain containing protein	0.0043	0.0877	0.1586
Loa Loa (eye worm)	glutathione reductase	0.005	0.112	0.1298
Schistosoma mansoni	fusion	0.0064	0.1584	0.2865
Schistosoma mansoni	hypothetical protein	0.018	0.5527	1
Leishmania major	hypothetical protein, conserved	0.0064	0.1584	1
Schistosoma mansoni	jumonji domain containing protein	0.0081	0.2156	0.39
Toxoplasma gondii	ran binding protein	0.0064	0.1584	0.2865
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0152	0.4581	1
Loa Loa (eye worm)	SWIB/MDM2 domain-containing protein	0.018	0.5527	1
Plasmodium vivax	hypothetical protein, conserved	0.0031	0.0463	0.0837
Schistosoma mansoni	zinc finger protein	0.0064	0.1584	0.2865
Toxoplasma gondii	SWIB/MDM2 domain-containing protein	0.018	0.5527	1
Echinococcus multilocularis	Nuclear pore complex protein Nup153	0.0064	0.1584	0.2865
Mycobacterium tuberculosis	Dihydrolipoamide dehydrogenase LpdC (lipoamide reductase (NADH)) (lipoyl dehydrogenase) (dihydrolipoyl dehydrogenase) (diaphoras	0.0127	0.3752	0.819
Echinococcus multilocularis	SWI:SNF matrix associated	0.018	0.5527	1
Leishmania major	phosphopantetheinyl transferase-like protein	0.0025	0.0254	0.1602
Brugia malayi	Thioredoxin reductase	0.005	0.112	0.2026
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0102	0.2867	0.5187
Loa Loa (eye worm)	thioredoxin reductase	0.005	0.112	0.1298
Trypanosoma brucei	hypothetical protein, conserved	0.0064	0.1584	1
Trypanosoma cruzi	WLM domain containing protein, putative	0.0064	0.1584	1
Mycobacterium tuberculosis	Putative ferredoxin reductase	0.0115	0.3316	0.7238
Echinococcus granulosus	SWI:SNF matrix associated	0.018	0.5527	1
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.018	0.5527	1
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1584	0.2213
Leishmania major	hypothetical protein, conserved	0.0064	0.1584	1
Trypanosoma brucei	hypothetical protein, conserved	0.0064	0.1584	1
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0064	0.1584	0.2865
Echinococcus multilocularis	lysine specific demethylase 5A	0.0038	0.0685	0.124
Echinococcus granulosus	Nuclear pore complex protein Nup153	0.0064	0.1584	0.2865
Mycobacterium leprae	PROBABLE NADH DEHYDROGENASE NDH	0.0115	0.3316	0.7076
Mycobacterium tuberculosis	Probable nitrite reductase [NAD(P)H] large subunit [FAD flavoprotein] NirB	0.0115	0.3316	0.7238
Onchocerca volvulus		0.0064	0.1584	0.2213
Plasmodium vivax	glutathione reductase, putative	0.005	0.112	0.2026
Loa Loa (eye worm)	transcription factor SMAD2	0.0119	0.3469	0.5936
Brugia malayi	PHD-finger family protein	0.0031	0.0463	0.0837
Echinococcus multilocularis	thioredoxin glutathione reductase	0.005	0.112	0.2026
Echinococcus multilocularis	peregrin	0.0031	0.0463	0.0837
Schistosoma mansoni	hypothetical protein	0.018	0.5527	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	1	1
Schistosoma mansoni	hypothetical protein	0.018	0.5527	1
Echinococcus granulosus	ring and YY1 binding protein	0.0064	0.1584	0.2865
Echinococcus granulosus	L aminoadipate semialdehyde	0.0088	0.242	0.4378
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	1	1
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0311	1	1
Trypanosoma cruzi	trypanothione reductase, putative	0.005	0.112	0.7073
Mycobacterium tuberculosis	NADPH-dependent mycothiol reductase Mtr	0.005	0.112	0.2445
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	1	1
Onchocerca volvulus		0.0088	0.242	0.3864
Mycobacterium tuberculosis	Probable reductase	0.0115	0.3316	0.7238
Mycobacterium tuberculosis	Probable oxidoreductase	0.0127	0.3752	0.819
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0152	0.4581	1
Chlamydia trachomatis	DNA topoisomerase I	0.018	0.5527	1
Onchocerca volvulus		0.0064	0.1584	0.2213
Toxoplasma gondii	Zn-finger in Ran binding protein and others domain-containing protein	0.0064	0.1584	0.2865
Loa Loa (eye worm)	hypothetical protein	0.0088	0.242	0.3864
Mycobacterium tuberculosis	Probable NADH dehydrogenase Ndh	0.0115	0.3316	0.7238
Brugia malayi	Bromodomain containing protein	0.0031	0.0463	0.0837
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0025	0.0254	0.0254
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0088	0.242	0.4378
Schistosoma mansoni	TRABID protein (C64 family)	0.0064	0.1584	0.2865
Echinococcus multilocularis	Zinc finger, RanBP2 type	0.0064	0.1584	0.2865
Echinococcus multilocularis	zinc finger protein Ran binding	0.0064	0.1584	0.2865
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0102	0.2867	0.5187
Mycobacterium tuberculosis	Probable membrane NADH dehydrogenase NdhA	0.0115	0.3316	0.7238
Brugia malayi	SWIB/MDM2 domain containing protein	0.018	0.5527	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	1	1
Echinococcus granulosus	Zinc finger RanBP2 type	0.0064	0.1584	0.2865
Schistosoma mansoni	RNA binding protein	0.0064	0.1584	0.2865
Echinococcus granulosus	Upstream activation factor subunit UAF30	0.018	0.5527	1
Chlamydia trachomatis	SWIB complex protein	0.018	0.5527	1
Mycobacterium tuberculosis	Probable dehydrogenase	0.0115	0.3316	0.7238
Trypanosoma brucei	trypanothione reductase	0.005	0.112	0.7073
Brugia malayi	glutathione reductase	0.005	0.112	0.2026
Treponema pallidum	fructose-bisphosphate aldolase	0.0311	1	1
Echinococcus multilocularis	jumonji domain containing protein	0.0043	0.0877	0.1586
Brugia malayi	brahma associated protein 60 kDa	0.018	0.5527	1
Echinococcus granulosus	peregrin	0.0031	0.0463	0.0837
Plasmodium falciparum	thioredoxin reductase	0.005	0.112	0.2026
Schistosoma mansoni	hypothetical protein	0.0064	0.1584	0.2865
Trypanosoma cruzi	hypothetical protein, conserved	0.0064	0.1584	1
Trypanosoma cruzi	mitochondrial RNA binding complex 1 subunit, putative	0.0064	0.1584	1
Trypanosoma brucei	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0064	0.1584	1
Echinococcus granulosus	thioredoxin glutathione reductase	0.005	0.112	0.2026
Echinococcus granulosus	PHD finger protein rhinoceros	0.0031	0.0463	0.0837
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0463	0.0837
Plasmodium falciparum	glutathione reductase	0.005	0.112	0.2026
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0254	0.0459
Brugia malayi	brahma associated protein 60 kDa	0.018	0.5527	1
Plasmodium vivax	thioredoxin reductase, putative	0.005	0.112	0.2026
Loa Loa (eye worm)	hypothetical protein	0.0053	0.1218	0.1491
Loa Loa (eye worm)	jmjC domain-containing protein	0.0064	0.1588	0.2222
Trypanosoma cruzi	Zn-finger in Ran binding protein and others, putative	0.0064	0.1584	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0311	1	1
Brugia malayi	MH2 domain containing protein	0.0119	0.3469	0.6276
Toxoplasma gondii	thioredoxin reductase	0.005	0.112	0.2026
Toxoplasma gondii	DNA topoisomerase domain-containing protein	0.018	0.5527	1
Trypanosoma cruzi	Zn-finger in Ran binding protein and others/FYVE zinc finger, putative	0.0064	0.1584	1
Onchocerca volvulus		0.0064	0.1584	0.2213
Loa Loa (eye worm)	MH2 domain-containing protein	0.0119	0.3469	0.5936
Loa Loa (eye worm)	brahma associated protein	0.018	0.5527	1
Echinococcus multilocularis	ring and YY1 binding protein	0.0064	0.1584	0.2865
Plasmodium falciparum	SWIB/MDM2 domain-containing protein	0.018	0.5527	1
Plasmodium vivax	holo-[acyl-carrier-protein] synthase, putative	0.0025	0.0254	0.0459
Leishmania major	hypothetical protein, conserved	0.0064	0.1584	1
Plasmodium vivax	SWIB/MDM2 domain-containing protein, putative	0.018	0.5527	1
Trichomonas vaginalis	conserved hypothetical protein	0.018	0.5527	0.5527
Brugia malayi	Zn-finger in Ran binding protein and others containing protein	0.0064	0.1584	0.2865
Loa Loa (eye worm)	jmjC domain-containing protein	0.0038	0.0685	0.0439
Loa Loa (eye worm)	hypothetical protein	0.0064	0.1584	0.2213
Mycobacterium tuberculosis	holo-[acyl-carrier protein] synthase AcpS (holo-ACP synthase) (CoA:APO-[ACP]pantetheinephosphotransferase) (CoA:APO-[acyl-carrie	0.0025	0.0254	0.0554
Toxoplasma gondii	PHD-finger domain-containing protein	0.0031	0.0463	0.0837
Toxoplasma gondii	4'-phosphopantetheinyl transferase domain-containing protein	0.0025	0.0254	0.0459
Echinococcus granulosus	zinc finger protein Ran binding	0.0064	0.1584	0.2865
Plasmodium falciparum	zinc finger Ran-binding domain-containing protein 2, putative	0.0064	0.1584	0.2865
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0152	0.4581	1
Onchocerca volvulus	Ubiquitin thioesterase ZRANB1 homolog	0.0064	0.1584	0.2213
Plasmodium falciparum	phd finger protein, putative	0.0031	0.0463	0.0837

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: CHEMBL3250091

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 1892858