TDR Targets

Basic information

Technical information

TDR Targets ID: 673625
Name: ZINC01140234
MW: 372.481 | Formula: C20H24N2O3S
H donors: 2 H acceptors: 2 LogP: 4.85 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: CCOc1ccccc1C(=O)Nc1sc2c(c1C(=O)N)CCCCCC2
InChi: 1S/C20H24N2O3S/c1-2-25-15-11-8-7-9-13(15)19(24)22-20-17(18(21)23)14-10-5-3-4-6-12-16(14)26-20/h7-9,11H,2-6,10,12H2,1H3,(H2,21,23)(H,22,24)
InChiKey: VYMREOZCSMSBLA-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

Oprea1_602957
IVK/8127950

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
Mycobacterium tuberculosis	Conserved protein	0.0078	0.0751	0.1148
Treponema pallidum	4'-phosphopantetheinyl transferase	0.0023	0	0.5
Schistosoma mansoni	tar DNA-binding protein	0.0269	0.3413	0.3353
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.009	0.0015
Toxoplasma gondii	hypothetical protein	0.0049	0.0351	0.4674
Trichomonas vaginalis	set domain proteins, putative	0.0237	0.2959	1
Echinococcus multilocularis	dna polymerase eta	0.0045	0.0296	0.0209
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1657	0.412
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0078	0.0751	0.1148
Brugia malayi	beta-lactamase family protein	0.0078	0.0751	0.1746
Mycobacterium tuberculosis	Probable esterase LipL	0.0078	0.0751	0.1148
Echinococcus granulosus	inositol monophosphatase 1	0.0043	0.0272	0.0199
Loa Loa (eye worm)	hypothetical protein	0.0303	0.3879	1
Schistosoma mansoni	aminoadipate-semialdehyde dehydrogenase	0.0083	0.0828	0.0745
Loa Loa (eye worm)	beta-lactamase	0.0078	0.0751	0.1746
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0265	0.0407
Loa Loa (eye worm)	MH2 domain-containing protein	0.0268	0.3395	0.8721
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0751	0.1746
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0191	0.0267
Onchocerca volvulus		0.0109	0.1183	0.3811
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0042	0.0265	0.0685
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0272	0.0427
Mycobacterium ulcerans	hypothetical protein	0.0159	0.1881	1
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0038	0.021	0.032
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0078	0.0751	0.1746
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0043	0.0272	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0078	0.0751	0.1746
Trypanosoma cruzi	hypothetical protein, conserved	0.0078	0.0751	0.1704
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0078	0.0751	0.0668
Onchocerca volvulus		0.0078	0.0751	0.2305
Leishmania major	hypothetical protein, conserved	0.0078	0.0751	0.1945
Leishmania major	mitochondrial DNA polymerase beta	0.0302	0.3862	1
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0751	0.1746
Toxoplasma gondii	ABC1 family protein	0.0078	0.0751	1
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0052	0.0393	0.075
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0272	0.0705
Trichomonas vaginalis	penicillin-binding protein, putative	0.0078	0.0751	0.1782
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0042	0.0265	0.0407
Echinococcus multilocularis	L aminoadipate semialdehyde	0.0083	0.0828	0.0745
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0043	0.0272	0.1447
Trypanosoma cruzi	DNA polymerase eta, putative	0.0045	0.0296	0.0492
Echinococcus multilocularis	tar DNA binding protein	0.0269	0.3413	0.3353
Mycobacterium ulcerans	hypothetical protein	0.0078	0.0751	0.3993
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0302	0.3862	1
Schistosoma mansoni	microtubule-associated protein tau	0.0744	1	1
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0143	0.1657	0.4291
Trypanosoma brucei	hypothetical protein, conserved	0.0078	0.0751	0.1945
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0272	0.0427
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0078	0.0751	0.1148
Schistosoma mansoni	DNA polymerase eta	0.0045	0.0296	0.0209
Mycobacterium tuberculosis	Conserved protein	0.0078	0.0751	0.1148
Leishmania major	DNA polymerase eta, putative	0.0045	0.0296	0.0768
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.2561	0.6521
Toxoplasma gondii	ImpB/MucB/SamB family protein	0.0031	0.0112	0.1491
Plasmodium vivax	hypothetical protein, conserved	0.0078	0.0751	1
Brugia malayi	Muscleblind-like protein	0.0303	0.3879	1
Brugia malayi	TAR-binding protein	0.0269	0.3413	0.8769
Mycobacterium tuberculosis	Conserved protein	0.0078	0.0751	0.1148
Mycobacterium leprae	Probable lipase LipE	0.0078	0.0751	1
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.009	0.1194
Loa Loa (eye worm)	transcription factor SMAD2	0.0268	0.3395	0.8721
Brugia malayi	beta-lactamase	0.0078	0.0751	0.1746
Brugia malayi	Inositol-1	0.0043	0.0272	0.0482
Chlamydia trachomatis	holo [acyl-carrier protein] synthase	0.0023	0	0.5
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0078	0.0751	0.1148
Schistosoma mansoni	tar DNA-binding protein	0.0269	0.3413	0.3353
Schistosoma mansoni	tar DNA-binding protein	0.0269	0.3413	0.3353
Mycobacterium tuberculosis	Probable lipase LipE	0.0078	0.0751	0.1148
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0191	0.0267
Mycobacterium tuberculosis	Probable hydrolase	0.0078	0.0751	0.1148
Brugia malayi	ImpB/MucB/SamB family protein	0.0045	0.0296	0.0546
Trypanosoma cruzi	hypothetical protein, conserved	0.0078	0.0751	0.1704
Mycobacterium tuberculosis	Probable lipase LipD	0.0078	0.0751	0.1148
Echinococcus multilocularis	muscleblind protein 1	0.0303	0.3879	0.3824
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0078	0.0751	0.0668
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0302	0.3862	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0269	0.3413	0.8769
Echinococcus multilocularis	tumor protein p63	0.0743	0.9975	0.9975
Loa Loa (eye worm)	RNA binding protein	0.0269	0.3413	0.8769
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0043	0.0272	1
Echinococcus granulosus	muscleblind protein	0.0303	0.3879	0.3833
Brugia malayi	RNA binding protein	0.0269	0.3413	0.8769
Mycobacterium ulcerans	beta-lactamase	0.0078	0.0751	0.3993
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0042	0.0265	0.0407
Echinococcus granulosus	L aminoadipate semialdehyde	0.0083	0.0828	0.076
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0043	0.0272	0.3624
Echinococcus granulosus	tar DNA binding protein	0.0269	0.3413	0.3363
Brugia malayi	aminoadipate-semialdehyde dehydrogenase-phosphopantetheinyl transferase	0.0083	0.0828	0.1949
Trichomonas vaginalis	esterase, putative	0.0078	0.0751	0.1782
Schistosoma mansoni	cellular tumor antigen P53	0.0109	0.1183	0.1104
Onchocerca volvulus		0.0078	0.0751	0.2305
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0429	0.0896
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0272	0.0184
Echinococcus multilocularis	inositol monophosphatase 1	0.0043	0.0272	0.0184
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0302	0.3862	1
Trypanosoma brucei	DNA polymerase eta, putative	0.0045	0.0296	0.0768
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0751	0.1746
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0429	0.0896
Leishmania major	DNA polymerase eta, putative	0.0031	0.0112	0.029
Trichomonas vaginalis	penicillin-binding protein, putative	0.0078	0.0751	0.1782
Brugia malayi	Pre-SET motif family protein	0.0208	0.2561	0.6521
Echinococcus multilocularis	microtubule associated protein 2	0.0744	1	1
Loa Loa (eye worm)	inositol-1	0.0043	0.0272	0.0482
Loa Loa (eye worm)	hypothetical protein	0.0303	0.3879	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0078	0.0751	0.1782
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0429	0.0896
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0143	0.1657	0.4291
Plasmodium falciparum	holo-[acyl-carrier-protein] synthase, putative	0.0023	0	0.5
Brugia malayi	RNA recognition motif domain containing protein	0.0269	0.3413	0.8769
Trichomonas vaginalis	D-aminoacylase, putative	0.0078	0.0751	0.1782
Schistosoma mansoni	hypothetical protein	0.0037	0.0191	0.0102
Brugia malayi	beta-lactamase family protein	0.0078	0.0751	0.1746
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0751	0.1746
Loa Loa (eye worm)	TAR-binding protein	0.0269	0.3413	0.8769
Onchocerca volvulus		0.0083	0.0828	0.2574
Onchocerca volvulus		0.0078	0.0751	0.2305
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0429	0.0896
Schistosoma mansoni	tar DNA-binding protein	0.0269	0.3413	0.3353
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0751	0.1746
Echinococcus granulosus	tumor protein p63	0.0743	0.9975	0.9975
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0159	0.1881	0.2874
Mycobacterium ulcerans	lipase LipD	0.0078	0.0751	0.3993
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0495	0.6546	1
Onchocerca volvulus		0.0237	0.2959	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0078	0.0751	0.0682
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0043	0.0272	0.0705
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0038	0.021	0.2792
Loa Loa (eye worm)	hypothetical protein	0.0083	0.0828	0.1949
Mycobacterium ulcerans	esterase/lipase LipP	0.0078	0.0751	0.3993
Loa Loa (eye worm)	hypothetical protein	0.0109	0.1183	0.2886
Plasmodium vivax	SET domain protein, putative	0.003	0.009	0.1194
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0078	0.0751	0.0668
Loa Loa (eye worm)	hypothetical protein	0.0078	0.0751	0.1746
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0078	0.0751	0.3993
Mycobacterium leprae	conserved hypothetical protein	0.0078	0.0751	1
Echinococcus granulosus	dna polymerase eta	0.0045	0.0296	0.0224
Brugia malayi	MH2 domain containing protein	0.0268	0.3395	0.8721
Schistosoma mansoni	inositol monophosphatase	0.0043	0.0272	0.0184
Schistosoma mansoni	tar DNA-binding protein	0.0269	0.3413	0.3353
Trichomonas vaginalis	D-aminoacylase, putative	0.0078	0.0751	0.1782
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0296	0.0546
Echinococcus multilocularis	muscleblind protein	0.0303	0.3879	0.3824

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 673625