TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 419.539 | Formula: C24H25N3O2S
H donors: 1 H acceptors: 2 LogP: 3.9 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: Cc1cccc(c1)C(=O)N1CCN(CC1)Cc1cccc(c1)NC(=O)c1cccs1
InChi: 1S/C24H25N3O2S/c1-18-5-2-7-20(15-18)24(29)27-12-10-26(11-13-27)17-19-6-3-8-21(16-19)25-23(28)22-9-4-14-30-22/h2-9,14-16H,10-13,17H2,1H3,(H,25,28)
InChiKey: RCCPOAPJIPRLQA-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
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0261	0.6606
Schistosoma mansoni	tar DNA-binding protein	0.0267	0.3684	0.4824
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.003	0.004
Brugia malayi	ecdysteroid receptor	0.001	0.003	0.0035
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0261	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0267	0.3684	0.4199
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0261	0.0297
Entamoeba histolytica	hypothetical protein	0.0035	0.0395	1
Chlamydia trachomatis	acylglycerophosphoethanolamine acyltransferase	0.0019	0.0168	0.5
Trypanosoma brucei	acetyl-CoA synthetase, putative	0.0008	0	0.5
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0065	0.0813	0.1065
Schistosoma mansoni	survival motor neuron protein	0.0055	0.0675	0.0884
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.001	0.003	0.0035
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0497	0.6966	0.794
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.001	0.003	0.0035
Schistosoma mansoni	tar DNA-binding protein	0.0267	0.3684	0.4824
Brugia malayi	nuclear receptor NHR-88	0.001	0.003	0.0035
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD5 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0152	0.5844
Echinococcus multilocularis	survival motor neuron protein 1	0.027	0.3734	0.489
Schistosoma mansoni	tar DNA-binding protein	0.0267	0.3684	0.4824
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.003	0.0035
Loa Loa (eye worm)	RNA binding protein	0.0267	0.3684	0.4199
Brugia malayi	RNA binding protein	0.0267	0.3684	0.4199
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0625	0.8773	1
Trypanosoma brucei	long-chain-fatty-acid-CoA ligase, putative	0.0008	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.003	0.0035
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0065	0.0813	0.1065
Echinococcus multilocularis	FTZ F1 alpha	0.001	0.003	0.004
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.009	0.1165	0.1526
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1245	0.1631
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0261	0.0297
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.009	0.1165	0.1526
Schistosoma mansoni	tar DNA-binding protein	0.0267	0.3684	0.4824
Echinococcus granulosus	histone lysine methyltransferase setb	0.009	0.1165	0.1526
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD35 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0152	0.5844
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.001	0.003	0.0035
Plasmodium vivax	acyl-CoA synthetase, putative	0.0019	0.0168	0.1438
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD2 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0026	0.0261	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0168	0.0191
Brugia malayi	hypothetical protein	0.027	0.3734	0.4256
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.001	0.003	0.0035
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0008	0	0.5
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0008	0	0.5
Brugia malayi	Pre-SET motif family protein	0.009	0.1165	0.1328
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0065	0.0813	0.0927
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD7 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0261	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.001	0.003	0.004
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0095	0.1245	0.142
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.001	0.003	0.004
Plasmodium vivax	SET domain protein, putative	0.009	0.1165	1
Mycobacterium ulcerans	long-chain-fatty-acid-CoA ligase	0.0026	0.0261	1
Echinococcus multilocularis	geminin	0.0545	0.7637	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.001	0.003	0.0035
Trichomonas vaginalis	set domain proteins, putative	0.0711	1	1
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.001	0.003	0.0035
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD7 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0152	0.5844
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.001	0.003	0.004
Echinococcus granulosus	tar DNA binding protein	0.0267	0.3684	0.4824
Brugia malayi	steroid hormone receptor	0.001	0.003	0.0035
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0095	0.1245	0.142
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.001	0.003	0.0035
Brugia malayi	Steroid receptor seven-up type 2	0.001	0.003	0.0035
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.003	0.004
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.009	0.1165	0.1526
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.001	0.003	0.004
Schistosoma mansoni	thyroid hormone receptor	0.001	0.003	0.004
Brugia malayi	hypothetical protein	0.0035	0.0395	0.045
Echinococcus multilocularis	GPCR, family 2	0.0065	0.0813	0.1065
Echinococcus multilocularis	tar DNA binding protein	0.0267	0.3684	0.4824
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.009	0.1165	0.1526
Loa Loa (eye worm)	hypothetical protein	0.001	0.003	0.0035
Schistosoma mansoni	retinoic acid receptor RXR	0.001	0.003	0.004
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0261	1
Onchocerca volvulus		0.009	0.1165	0.1165
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.001	0.003	0.0035
Loa Loa (eye worm)	TAR-binding protein	0.0267	0.3684	0.4199
Schistosoma mansoni	hypothetical protein	0.0065	0.0813	0.1065
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1245	0.1631
Schistosoma mansoni	hypothetical protein	0.0545	0.7637	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.001	0.003	0.004
Schistosoma mansoni	steroid hormone receptor ad4bp	0.001	0.003	0.004
Loa Loa (eye worm)	hypothetical protein	0.014	0.1883	0.2146
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0065	0.0813	0.1065
Schistosoma mansoni	hypothetical protein	0.0545	0.7637	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0168	0.0191
Entamoeba histolytica	acyl-CoA synthetase, putative	0.0026	0.0261	0.6606
Onchocerca volvulus	Protein ultraspiracle homolog	0.001	0.003	0.003
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.009	0.1165	0.1526
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.003	0.0035
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0065	0.0813	0.0927
Loa Loa (eye worm)	hypothetical protein	0.009	0.1165	0.1328
Schistosoma mansoni	coup transcription factor	0.001	0.003	0.004
Brugia malayi	nuclear hormone receptor	0.001	0.003	0.0035
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.001	0.003	0.0035
Echinococcus granulosus	GPCR family 2	0.0065	0.0813	0.1065
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0261	1
Schistosoma mansoni	hypothetical protein	0.0065	0.0813	0.1065
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0261	0.0297
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0035	0.0395	0.0517
Loa Loa (eye worm)	steroid hormone receptor	0.001	0.003	0.0035
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.001	0.003	0.004
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.003	0.0035
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0205	0.2805	0.3197
Brugia malayi	RNA recognition motif domain containing protein	0.0267	0.3684	0.4199
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.001	0.003	0.004
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.001	0.003	0.004
Loa Loa (eye worm)	hypothetical protein	0.001	0.003	0.0035
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.001	0.003	0.004
Echinococcus granulosus	survival motor neuron protein 1	0.027	0.3734	0.489
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0026	0.0261	1
Loa Loa (eye worm)	hypothetical protein	0.0065	0.0813	0.0927
Loa Loa (eye worm)	hypothetical protein	0.001	0.003	0.0035
Schistosoma mansoni	hypothetical protein	0.0065	0.0813	0.1065
Brugia malayi	Nuclear hormone receptor-like 1	0.001	0.003	0.0035
Mycobacterium tuberculosis	Probable chain -fatty-acid-CoA ligase FadD13 (fatty-acyl-CoA synthetase)	0.0026	0.0261	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.001	0.003	0.0035
Schistosoma mansoni	hypothetical protein	0.014	0.1883	0.2466
Schistosoma mansoni	tar DNA-binding protein	0.0267	0.3684	0.4824
Onchocerca volvulus		0.001	0.003	0.003
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0261	1
Mycobacterium ulcerans	acyl-CoA synthetase	0.0026	0.0261	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1245	0.1631
Brugia malayi	Latrophilin receptor protein 2	0.0065	0.0813	0.0927
Echinococcus multilocularis	thyroid hormone receptor alpha	0.001	0.003	0.004
Brugia malayi	AMP-binding enzyme family protein	0.0026	0.0261	0.0297
Brugia malayi	follicle stimulating hormone receptor	0.0497	0.6966	0.794
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.001	0.003	0.0035
Echinococcus granulosus	FTZ F1 alpha	0.001	0.003	0.004
Loa Loa (eye worm)	hypothetical protein	0.001	0.003	0.0035
Schistosoma mansoni	nuclear hormone receptor	0.001	0.003	0.004
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.001	0.003	0.004
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.001	0.003	0.004
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.009	0.1165	1
Onchocerca volvulus		0.0055	0.0675	0.0675
Loa Loa (eye worm)	hypothetical protein	0.001	0.003	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0205	0.2805	0.3197
Loa Loa (eye worm)	hypothetical protein	0.001	0.003	0.0035
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0095	0.1245	0.1631
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.001	0.003	0.0035
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0055	0.0675	0.077
Onchocerca volvulus	Bile acid receptor homolog	0.001	0.003	0.003
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.001	0.003	0.0035
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0168	0.0191
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1245	0.1631
Trypanosoma cruzi	long-chain-fatty-acid-CoA ligase, putative	0.0008	0	0.5
Echinococcus multilocularis	ecdysone induced protein 78C	0.001	0.003	0.004
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0065	0.0813	0.1065
Mycobacterium tuberculosis	Probable fatty-acid-CoA ligase FadD3 (fatty-acid-CoA synthetase) (fatty-acid-CoA synthase)	0.0018	0.0152	0.5844
Onchocerca volvulus		0.0026	0.0261	0.0261
Mycobacterium ulcerans	long-chain-fatty-acid--CoA ligase	0.0026	0.0261	1
Schistosoma mansoni	hypothetical protein	0.0035	0.0395	0.0517
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0086	0.1119	0.1465
Brugia malayi	TAR-binding protein	0.0267	0.3684	0.4199
Schistosoma mansoni	hypothetical protein	0.0055	0.0675	0.0884
Trypanosoma cruzi	acetyl-CoA synthetase, putative	0.0008	0	0.5
Entamoeba histolytica	hypothetical protein	0.0035	0.0395	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0168	0.0191
Schistosoma mansoni	hypothetical protein	0.0065	0.0813	0.1065
Mycobacterium ulcerans	hypothetical protein	0.0026	0.0261	1
Entamoeba histolytica	hypothetical protein	0.0035	0.0395	1
Loa Loa (eye worm)	hypothetical protein	0.001	0.003	0.0035
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.001	0.003	0.004
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.009	0.1165	0.1526
Brugia malayi	photoreceptor-specific nuclear receptor	0.001	0.003	0.0035
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.001	0.003	0.0035
Mycobacterium ulcerans	fatty-acid-CoA ligase	0.0019	0.0168	0.6421
Leishmania major	4-coumarate:coa ligase-like protein	0.0026	0.0261	1
Brugia malayi	Pre-SET motif family protein	0.0625	0.8773	1
Loa Loa (eye worm)	hypothetical protein	0.027	0.3734	0.4256
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0205	0.2805	0.3197
Entamoeba histolytica	hypothetical protein	0.0035	0.0395	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0095	0.1245	0.1631
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0261	0.0297
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0095	0.1245	0.1631
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.001	0.003	0.003
Entamoeba histolytica	acyl-coA synthetase, putative	0.0026	0.0261	0.6606
Plasmodium falciparum	acyl-CoA synthetase	0.0019	0.0168	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.001	0.003	0.0035
Mycobacterium tuberculosis	Fatty-acid-AMP ligase FadD30 (fatty-acid-AMP synthetase) (fatty-acid-AMP synthase)	0.0019	0.0168	0.6421
Mycobacterium leprae	PROBABLE FATTY-ACID-CoA LIGASE FADD2 (FATTY-ACID-CoA SYNTHETASE) (FATTY-ACID-CoA SYNTHASE)	0.0026	0.0261	1
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0168	0.0191
Echinococcus granulosus	ecdysone induced protein 78C	0.001	0.003	0.004
Schistosoma mansoni	transcription factor LCR-F1	0.0035	0.0395	0.0517
Mycobacterium ulcerans	long-chain fatty-acid CoA ligase	0.0026	0.0261	1
Echinococcus granulosus	geminin	0.0545	0.7637	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0205	0.2805	0.3197
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.001	0.003	0.004
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.001	0.003	0.004
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.001	0.003	0.004
Schistosoma mansoni	RAR-like nuclear receptor	0.001	0.003	0.004
Schistosoma mansoni	thyroid hormone receptor	0.001	0.003	0.004
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.001	0.003	0.0035
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.001	0.003	0.004
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0035	0.0395	0.0517
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.001	0.003	0.004
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.001	0.003	0.0035
Brugia malayi	latrophilin 2 splice variant baaae	0.014	0.1883	0.2146
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0261	0.0297

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: CHEMBL531803

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 1027433