TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 401.605 | Formula: C24H35NO2S
H donors: 1 H acceptors: 1 LogP: 8.05 Rotable bonds: 15
Rule of 5 violations (Lipinski): 1
SMILES: CCCCCCCCc1ccc(s1)CCCNc1ccc(cc1)C(=O)OCC
InChi: 1S/C24H35NO2S/c1-3-5-6-7-8-9-11-22-17-18-23(28-22)12-10-19-25-21-15-13-20(14-16-21)24(26)27-4-2/h13-18,25H,3-12,19H2,1-2H3
InChiKey: CDTIOUAGZLNMJT-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
Echinococcus multilocularis	inositol monophosphatase 1	0.0074	0.0287	0.0268
Giardia lamblia	CDC8	0.0147	0.0747	0.1179
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0057	0.0182	0.0278
Trypanosoma brucei	thymidylate kinase, putative	0.0147	0.0747	0.1424
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0287	0.0492
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0045	0.0343
Schistosoma mansoni	intermediate filament proteins	0.0054	0.0157	0.0228
Onchocerca volvulus	Putative thymidylate kinase	0.0147	0.0747	1
Trypanosoma brucei	ingi protein (ORF1)	0.0148	0.0757	0.1445
Schistosoma mansoni	lamin	0.0054	0.0157	0.0228
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0074	0.0287	0.3452
Loa Loa (eye worm)	intermediate filament protein	0.0054	0.0157	0.1206
Schistosoma mansoni	inositol monophosphatase	0.0074	0.0287	0.0444
Loa Loa (eye worm)	hypothetical protein	0.0235	0.1303	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.0138	0.1062
Trypanosoma cruzi	thymidine kinase, putative	0.0815	0.4977	1
Echinococcus multilocularis	lamin	0.0054	0.0157	0.0137
Brugia malayi	beta-lactamase family protein	0.0036	0.0045	0.0343
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0057	0.0182	0.1394
Echinococcus granulosus	lamin dm0	0.0054	0.0157	0.0228
Schistosoma mansoni	thymidylate kinase	0.0147	0.0747	0.1208
Echinococcus multilocularis	ribonuclease H1	0.0134	0.0665	0.0646
Brugia malayi	beta-lactamase	0.0036	0.0045	0.0343
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.0138	0.1334
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0057	0.0182	0.0711
Loa Loa (eye worm)	thymidylate kinase	0.0147	0.0747	0.5734
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0058	0.0183	0.0281
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0032	0.002	0.0154
Trypanosoma brucei	retrotransposon hot spot protein 4 (RHS4), interrupted	0.0148	0.0757	0.1445
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0116	0.0159
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0116	0.0159
Treponema pallidum	thymidylate kinase (tmk)	0.0147	0.0747	1
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0055	0.0165	0.0145
Echinococcus granulosus	ribonuclease H1	0.0134	0.0665	0.1072
Schistosoma mansoni	phosphoglucomutase	0.0134	0.0665	0.1072
Trichomonas vaginalis	thymidine kinase, putative	0.0815	0.4977	1
Schistosoma mansoni	phosphoglucomutase	0.0134	0.0665	0.1072
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0032	0.002	0.0154
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0074	0.0287	0.0492
Leishmania major	hypothetical protein, conserved	0.0058	0.0183	0.0281
Leishmania major	thymidylate kinase-like protein	0.0147	0.0747	0.1424
Toxoplasma gondii	ribonuclease HI protein	0.0134	0.0665	0.8829
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0145	0.0736	0.0718
Brugia malayi	exodeoxyribonuclease III family protein	0.0057	0.0182	0.1394
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0057	0.0182	0.195
Trypanosoma brucei	thymidylate kinase, putative	0.0147	0.0747	0.1424
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0134	0.0668	0.0649
Trichomonas vaginalis	inositol monophosphatase, putative	0.0074	0.0287	0.0492
Brugia malayi	RNase H family protein	0.0134	0.0665	0.5103
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.0138	0.019
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0116	0.0159
Schistosoma mansoni	hypothetical protein	0.0069	0.0254	0.0389
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0057	0.0182	0.0162
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0057	0.0182	0.0269
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0045	0.0343
Brugia malayi	thymidylate kinase	0.0147	0.0747	0.5734
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0101	0.0455	0.3494
Brugia malayi	intermediate filament protein	0.0054	0.0157	0.1206
Toxoplasma gondii	thymidylate kinase	0.0147	0.0747	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0066	0.0238	0.1588
Loa Loa (eye worm)	inositol-1	0.0074	0.0287	0.2204
Trichomonas vaginalis	ap endonuclease, putative	0.0057	0.0182	0.0278
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0101	0.0455	0.3494
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0138	0.019
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0066	0.0238	0.2753
Trypanosoma brucei	thymidine kinase	0.0815	0.4977	1
Echinococcus multilocularis	thymidine kinase	0.0983	0.6038	0.603
Wolbachia endosymbiont of Brugia malayi	ribonuclease HI	0.0134	0.0665	0.8545
Echinococcus multilocularis	geminin	0.0168	0.0882	0.0864
Echinococcus granulosus	thymidylate kinase	0.0147	0.0747	0.1208
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0045	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0045	0.0343
Brugia malayi	RNase H family protein	0.0134	0.0665	0.5103
Echinococcus granulosus	inositol monophosphatase 1	0.0074	0.0287	0.0444
Echinococcus multilocularis	transfer RNA-Ile	0.0983	0.6038	0.603
Echinococcus granulosus	geminin	0.0168	0.0882	0.1433
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0157	0.1206
Schistosoma mansoni	hypothetical protein	0.0134	0.0668	0.1077
Echinococcus granulosus	lamin	0.0054	0.0157	0.0228
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0057	0.0182	0.0278
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0101	0.0455	0.3494
Trypanosoma brucei	unspecified product	0.0148	0.0757	0.1445
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.0044	0.0041
Brugia malayi	hypothetical protein	0.0036	0.0044	0.0341
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0151	0.1159
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0045	0.0343
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.0044	0.0024
Leishmania major	ribonuclease H1, putative	0.0134	0.0665	0.1258
Trichomonas vaginalis	thymidine kinase, putative	0.0815	0.4977	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.0138	0.019
Trypanosoma cruzi	ribonuclease H1, putative	0.0134	0.0665	0.1258
Schistosoma mansoni	hypothetical protein	0.0048	0.0121	0.0168
Schistosoma mansoni	survival motor neuron protein	0.0048	0.0121	0.0168
Giardia lamblia	Thymidine kinase	0.0815	0.4977	1
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0055	0.0165	0.0241
Echinococcus granulosus	survival motor neuron protein 1	0.0235	0.1303	0.2132
Loa Loa (eye worm)	hypothetical protein	0.0101	0.0455	0.3494
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0228	0.1263	1
Echinococcus multilocularis	musashi	0.0054	0.0157	0.0137
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0074	0.0287	0.0492
Schistosoma mansoni	hypothetical protein	0.0106	0.0492	0.0785
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0045	0.0343
Loa Loa (eye worm)	hypothetical protein	0.0069	0.0254	0.1948
Giardia lamblia	Ribonuclease H	0.0134	0.0665	0.1008
Trypanosoma cruzi	thymidylate kinase, putative	0.0147	0.0747	0.1424
Schistosoma mansoni	hypothetical protein	0.0147	0.0747	0.1208
Schistosoma mansoni	inositol monophosphatase	0.0074	0.0287	0.0444
Entamoeba histolytica	Thymidylate kinase, putative	0.0147	0.0747	0.1425
Trichomonas vaginalis	thymidine kinase, putative	0.0815	0.4977	1
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0057	0.0182	0.0278
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0047	0.0116	0.0159
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0057	0.0182	0.195
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0074	0.0287	0.1865
Trypanosoma cruzi	thymidine kinase, putative	0.0815	0.4977	1
Giardia lamblia	Deoxynucleoside kinase	0.0402	0.2359	0.454
Toxoplasma gondii	exonuclease III APE	0.0057	0.0182	0.195
Loa Loa (eye worm)	hypothetical protein	0.0032	0.002	0.0154
Schistosoma mansoni	thymidine kinase	0.0983	0.6038	1
Brugia malayi	hypothetical protein	0.0235	0.1303	1
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0048	0.0121	0.0932
Schistosoma mansoni	hypothetical protein	0.0168	0.0882	0.1433
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0057	0.0182	0.0278
Wolbachia endosymbiont of Brugia malayi	thymidylate kinase	0.0147	0.0747	1
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0057	0.0182	0.1125
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0134	0.0668	0.1077
Mycobacterium tuberculosis	Thymidylate kinase Tmk (dTMP kinase) (thymidylic acid kinase) (TMPK)	0.0147	0.0747	0.5768
Brugia malayi	Intermediate filament tail domain containing protein	0.0054	0.0157	0.1206
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0074	0.0287	0.0492
Trypanosoma cruzi	ribonuclease H1, putative	0.0134	0.0665	0.1258
Mycobacterium ulcerans	thymidylate kinase	0.0147	0.0747	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0047	0.0116	0.0159
Trypanosoma cruzi	UMP-CMP kinase, mitochondrial, putative	0.0058	0.0183	0.0281
Brugia malayi	hypothetical protein	0.0033	0.0025	0.0192
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0045	0.0041
Leishmania major	thymidine kinase, putative	0.0815	0.4977	1
Brugia malayi	Latrophilin receptor protein 2	0.0032	0.002	0.0154
Onchocerca volvulus		0.0054	0.0157	0.1602
Mycobacterium leprae	probable thymidylate kinase Tmk (dTMP KINASE) (THYMIDYLIC ACID KINASE) (TMPK)	0.0147	0.0747	1
Schistosoma mansoni	lipoxygenase	0.0055	0.0165	0.0241
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0045	0.0041
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0047	0.0116	0.0888
Schistosoma mansoni	phosphoglucomutase	0.0134	0.0665	0.1072
Onchocerca volvulus	Ribonuclease H1 homolog	0.0134	0.0665	0.8829
Echinococcus granulosus	Thymidine kinase 2 mitochondrial	0.0983	0.6038	1
Echinococcus multilocularis	thymidylate kinase	0.0147	0.0747	0.0729
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0287	0.0492
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0045	0.0343
Onchocerca volvulus		0.0054	0.0157	0.1602
Schistosoma mansoni	ap endonuclease	0.0057	0.0182	0.0269
Echinococcus granulosus	thymidine kinase	0.0983	0.6038	1
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.0044	0.0041
Echinococcus multilocularis	lamin dm0	0.0054	0.0157	0.0137
Echinococcus multilocularis	survival motor neuron protein 1	0.0235	0.1303	0.1286
Brugia malayi	hypothetical protein	0.0051	0.0138	0.1062
Chlamydia trachomatis	thymidylate kinase	0.0147	0.0747	0.5
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0045	0.0343
Trichomonas vaginalis	ribonuclease H1, putative	0.0134	0.0665	0.1258
Schistosoma mansoni	hypothetical protein	0.0168	0.0882	0.1433
Plasmodium vivax	thymidylate kinase, putative	0.0147	0.0747	1
Echinococcus multilocularis	thymidine kinase	0.0983	0.6038	0.603
Trichomonas vaginalis	thymidylate kinase, putative	0.0147	0.0747	0.1424
Trypanosoma brucei	RNA helicase, putative	0.0643	0.3889	0.7793
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0045	0.0041
Brugia malayi	Inositol-1	0.0074	0.0287	0.2204
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0047	0.0116	0.0888
Trypanosoma cruzi	thymidylate kinase, putative	0.0147	0.0747	0.1424
Trichomonas vaginalis	ap endonuclease, putative	0.0057	0.0182	0.0278
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0287	0.0492
Schistosoma mansoni	thymidylate kinase	0.0147	0.0747	0.1208
Schistosoma mansoni	ap endonuclease	0.0057	0.0182	0.0269
Onchocerca volvulus		0.0048	0.0121	0.1093
Schistosoma mansoni	lamin	0.0054	0.0157	0.0228
Echinococcus granulosus	intermediate filament protein	0.0054	0.0157	0.0228
Trypanosoma brucei	hypothetical protein, conserved	0.0148	0.0757	0.1445
Echinococcus granulosus	thymidine kinase	0.0983	0.6038	1
Schistosoma mansoni	thyroid hormone receptor	0.0145	0.0736	0.119
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.0138	0.1334
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0054	0.0157	0.1206
Treponema pallidum	ribonuclease H (rnhA)	0.0134	0.0665	0.8545
Trypanosoma brucei	ribonuclease H1	0.0134	0.0665	0.1258
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0074	0.0287	0.0492
Trichomonas vaginalis	thymidylate kinase, putative	0.0147	0.0747	0.1424
Schistosoma mansoni	thyroid hormone receptor	0.0145	0.0736	0.119
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0045	0.0343
Schistosoma mansoni	hypothetical protein	0.0036	0.0044	0.0041
Schistosoma mansoni	hypothetical protein	0.0643	0.3889	0.6429
Brugia malayi	beta-lactamase family protein	0.0036	0.0045	0.0343
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0116	0.0096
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0047	0.0116	0.0096
Entamoeba histolytica	thymidine kinase, putative	0.0815	0.4977	1
Plasmodium falciparum	thymidylate kinase	0.0147	0.0747	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0069	0.0254	0.1948
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0074	0.0287	0.3452
Brugia malayi	RNase H family protein	0.0134	0.0665	0.5103
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0057	0.0182	0.0278
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0045	0.0025
Trypanosoma brucei	ingi protein (ORF1)	0.0148	0.0757	0.1445
Leishmania major	hypothetical protein, conserved	0.0051	0.0138	0.019

Activities

Activity type	Activity value	Assay description	Source	Reference
Diet (functional)	< 46 %	In vivo triglyceride lowering activity dosed at 0.10 % of the diet	ChEMBL.	6604816
Diet (functional)	< 83 %	In vivo sterol lowering activity dosed at 0.10 % of the diet	ChEMBL.	6604816
Inhibition (binding)	< 57 %	In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase (ACAT)	ChEMBL.	6604816
Inhibition (binding)	< 57 %	In vitro inhibitory activity against acyl coenzyme A:cholesterol acyltransferase (ACAT)	ChEMBL.	6604816

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: CHEMBL27687

Bibliographic References

1 literature reference was collected for this gene.

If you have references for this compound, please enter them in a user comment (below) or Contact us.

Detailed information for compound 39496