TDR Targets

Basic information

Technical information

TDR Targets ID: 896093
Name: ST5208554
MW: 315.433 | Formula: C17H21N3OS
H donors: 1 H acceptors: 2 LogP: 4.2 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCN1CC(=O)C(=C1N)c1nc2c(s1)cccc2
InChi: 1S/C17H21N3OS/c1-2-3-4-7-10-20-11-13(21)15(16(20)18)17-19-12-8-5-6-9-14(12)22-17/h5-6,8-9H,2-4,7,10-11,18H2,1H3
InChiKey: AVDUDHZBABOQAS-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

ZINC05010616

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
Leishmania major	cytochrome p450-like protein	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.4471	0.4471
Schistosoma mansoni	voltage-gated potassium channel	0.0043	0.3558	0.3558
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0095	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0014	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0014	0	0.5
Brugia malayi	nuclear receptor RXR	0.0045	0.3808	0.3808
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0095	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0095	1	1
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0045	0.3808	0.3808
Loa Loa (eye worm)	nuclear hormone receptor	0.0045	0.3808	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Schistosoma mansoni	nuclear hormone receptor	0.0045	0.3808	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0095	1	1
Echinococcus granulosus	FTZ F1 alpha	0.0095	1	1
Brugia malayi	orphan nuclear receptor NR2E1	0.0045	0.3808	0.3808
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0014	0	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0095	1	1
Loa Loa (eye worm)	voltage and ligand gated potassium channel	0.0039	0.3114	0.3114
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0014	0	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0014	0	0.5
Brugia malayi	nuclear receptor RXR	0.005	0.4471	0.4471
Schistosoma mansoni	nuclear receptor	0.0045	0.3808	0.3808
Echinococcus multilocularis	ecdysone induced protein 78C	0.0095	1	1
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0014	0	0.5
Brugia malayi	hypothetical protein	0.005	0.4471	0.4471
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0095	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Onchocerca volvulus		0.0095	1	1
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0045	0.3808	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0095	1	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0095	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0045	0.3808	0.3808
Schistosoma mansoni	thyroid hormone receptor	0.0095	1	1
Loa Loa (eye worm)	DR-78	0.0045	0.3808	0.3808
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0095	1	1
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0095	1	1
Brugia malayi	conserved hypotetical protein	0.0045	0.3808	0.3808
Brugia malayi	Cytochrome P450 family protein	0.0052	0.4639	0.4639
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0014	0	0.5
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0095	1	1
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.005	0.4471	0.4471
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0095	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0014	0	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0095	1	1
Brugia malayi	nuclear receptor NHR-88	0.0045	0.3808	0.3808
Schistosoma mansoni	retinoic acid receptor RXR	0.0095	1	1
Loa Loa (eye worm)	cytochrome P450 family protein	0.0052	0.4639	0.4639
Trypanosoma cruzi	cytochrome p450-like protein, putative	0.0014	0	0.5
Mycobacterium leprae	Conserved hypothetical protein	0.0014	0	0.5
Trypanosoma cruzi	cytochrome P450, putative	0.0014	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0095	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0014	0	0.5
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0014	0	0.5
Trypanosoma brucei	Lanosterol 14-alpha demethylase	0.0014	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0095	1	1
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.005	0.4471	0.4471
Loa Loa (eye worm)	hypothetical protein	0.005	0.4471	0.4471
Leishmania major	cytochrome p450-like protein	0.0014	0	0.5
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0014	0	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0014	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0095	1	1
Brugia malayi	photoreceptor-specific nuclear receptor	0.0095	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0095	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0037	0.2796	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0095	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0095	1	1
Echinococcus granulosus	thyroid hormone receptor alpha	0.0045	0.3808	0.3808
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0045	0.3808	0.3808
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0014	0	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0095	1	1
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0014	0	0.5
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0014	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0095	1	1
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0095	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Trypanosoma cruzi	cytochrome P450, putative	0.0014	0	0.5
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0095	1	1
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0045	0.3808	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Brugia malayi	nuclear receptor NHR-67	0.0045	0.3808	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0095	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0014	0	0.5
Echinococcus multilocularis	FTZ F1 alpha	0.0095	1	1
Loa Loa (eye worm)	hypothetical protein	0.005	0.4471	0.4471
Brugia malayi	ecdysone receptor	0.0045	0.3808	0.3808
Brugia malayi	Nuclear hormone receptor-like 1	0.005	0.4471	0.4471
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0095	1	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0095	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0045	0.3808	0.3808
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0095	1	1
Schistosoma mansoni	voltage-gated potassium channel	0.0043	0.3558	0.3558
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0014	0	0.5
Schistosoma mansoni	nuclear hormone receptor	0.0045	0.3808	0.3808
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0095	1	1
Trichomonas vaginalis	voltage and ligand gated potassium channel, putative	0.0037	0.2796	0.5
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0014	0	0.5
Brugia malayi	Nuclear hormone receptor E75	0.0045	0.3808	0.3808
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0095	1	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0095	1	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0045	0.3808	0.3808
Schistosoma mansoni	nuclear receptor nhr-48	0.0045	0.3808	0.3808
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0014	0	0.5
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0095	1	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0045	0.3808	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0095	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Onchocerca volvulus	Bile acid receptor homolog	0.0095	1	1
Brugia malayi	Voltage-gated potassium channel, HERG (KCNH2)-related. C. elegans unc-103 ortholog	0.0039	0.3114	0.3114
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0014	0	0.5
Schistosoma mansoni	zinc finger protein	0.0045	0.3808	0.3808
Onchocerca volvulus	Protein ultraspiracle homolog	0.0095	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0014	0	0.5
Brugia malayi	hypothetical protein	0.005	0.4471	0.4471
Schistosoma mansoni	nuclear receptor	0.0045	0.3808	0.3808
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0014	0	0.5
Brugia malayi	steroid hormone receptor	0.0095	1	1
Schistosoma mansoni	RAR-like nuclear receptor	0.0095	1	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0045	0.3808	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0095	1	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0095	1	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0095	1	1
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0014	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0095	1	1
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0045	0.3808	0.3808
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0014	0	0.5
Schistosoma mansoni	coup transcription factor	0.0095	1	1
Leishmania major	cytochrome p450-like protein	0.0014	0	0.5
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0014	0	0.5
Toxoplasma gondii	cytochrome p450 superfamily protein	0.0014	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	1	1
Loa Loa (eye worm)	hypothetical protein	0.0034	0.2476	0.2476
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0014	0	0.5
Echinococcus multilocularis	nuclear receptor nhr 48	0.0045	0.3808	0.3808
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0014	0	0.5
Echinococcus multilocularis	potassium voltage gated channel subfamily H	0.0039	0.3114	0.3114
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0045	0.3808	0.3808
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0095	1	1
Brugia malayi	nuclear hormone receptor	0.0045	0.3808	0.3808
Schistosoma mansoni	thyroid hormone receptor	0.0095	1	1
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.005	0.4471	0.4471
Echinococcus granulosus	potassium voltage gated channel subfamily H	0.0039	0.3114	0.3114
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0095	1	1
Schistosoma mansoni	nuclear hormone receptor	0.0095	1	1
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0045	0.3808	0.3808
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0014	0	0.5
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0045	0.3808	0.3808
Loa Loa (eye worm)	hypothetical protein	0.005	0.4471	0.4471
Brugia malayi	tailless protein	0.0045	0.3808	0.3808
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.005	0.4471	0.4471
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0014	0	0.5
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.005	0.4471	0.4471
Brugia malayi	nuclear hormone receptor	0.0095	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.0095	1	1
Trypanosoma cruzi	Lanosterol 14-alpha demethylase	0.0014	0	0.5
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0014	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0014	0	0.5
Echinococcus granulosus	nuclear receptor nhr 48	0.0045	0.3808	0.3808
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0095	1	1
Mycobacterium leprae	putative cytochrome p450	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0095	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0095	1	1
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0095	1	1
Brugia malayi	nuclear hormone receptor family member odr-7	0.0045	0.3808	0.3808
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0014	0	0.5
Leishmania major	lanosterol 14-alpha-demethylase, putative	0.0014	0	0.5
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0095	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0095	1	1
Brugia malayi	Nuclear hormone receptor E75	0.0045	0.3808	0.3808
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0095	1	1
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0045	0.3808	0.3808
Brugia malayi	hypothetical protein	0.0045	0.3808	0.3808
Loa Loa (eye worm)	hypothetical protein	0.0095	1	1
Brugia malayi	Nuclear hormone receptor-like 1	0.005	0.4471	0.4471
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0095	1	1
Brugia malayi	hypothetical protein	0.0045	0.3808	0.3808
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0014	0	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0095	1	1
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0014	0	0.5
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0014	0	0.5
Trypanosoma brucei	cytochrome P450, putative	0.0014	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0095	1	1
Loa Loa (eye worm)	hypothetical protein	0.0045	0.3808	0.3808
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0014	0	0.5
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0095	1	1
Brugia malayi	nuclear receptor NHR-88	0.0095	1	1
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0045	0.3808	0.3808
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0014	0	0.5
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.005	0.4471	0.4471
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0014	0	0.5
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0014	0	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

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 896093