TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 541.666 | Formula: C26H35N7O4S
H donors: 4 H acceptors: 4 LogP: 0.78 Rotable bonds: 11
Rule of 5 violations (Lipinski): 2
SMILES: O=C(C(NS(=O)(=O)NCC1CNc2c(C1)cccc2)Cc1cccc(c1)C(=N)N)N1CCN(CC1)C(=O)C
InChi: 1S/C26H35N7O4S/c1-18(34)32-9-11-33(12-10-32)26(35)24(15-19-5-4-7-22(13-19)25(27)28)31-38(36,37)30-17-20-14-21-6-2-3-8-23(21)29-16-20/h2-8,13,20,24,29-31H,9-12,14-17H2,1H3,(H3,27,28)
InChiKey: LQRDJCCWMCTWBI-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
Trichomonas vaginalis	DNA polymerase II, putative	0.0051	0.1125	0.1791
Trypanosoma cruzi	DNA polymerase epsilon catalytic subunit, putative	0.0051	0.1125	0.2527
Echinococcus granulosus	DNA polymerase alpha catalytic subunit	0.0051	0.1125	0.0668
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0038	0.0721	0.0978
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0721	0.0978
Trypanosoma brucei	hypothetical protein, conserved	0.0038	0.0721	0.1619
Loa Loa (eye worm)	intermediate filament protein	0.0031	0.049	0.1052
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0721	0.0978
Mycobacterium leprae	conserved hypothetical protein	0.0038	0.0721	0.0216
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0753	0.0662
Echinococcus multilocularis	transient receptor potential ion channel A	0.0097	0.2621	0.2241
Loa Loa (eye worm)	hypothetical protein	0.0031	0.049	0.1052
Onchocerca volvulus		0.0038	0.0721	0.1619
Loa Loa (eye worm)	DNA polymerase epsilon catalytic subunit	0.0023	0.0216	0.0432
Trypanosoma cruzi	DNA polymerase delta catalytic subunit, putative	0.0126	0.3543	0.7957
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0753	0.1691
Loa Loa (eye worm)	DNA polymerase epsilon catalytic subunit	0.0028	0.0396	0.084
Echinococcus multilocularis	DNA polymerase alpha catalytic subunit	0.0051	0.1125	0.0668
Schistosoma mansoni	DNA polymerase zeta catalytic subunit	0.0051	0.1125	0.1603
Echinococcus granulosus	short transient receptor potential channel 6	0.0067	0.1631	0.12
Trichomonas vaginalis	DNA polymerase zeta catalytic subunit, putative	0.0154	0.4453	0.834
Echinococcus multilocularis	tumor protein p63	0.0326	1	1
Mycobacterium ulcerans	beta-lactamase	0.0038	0.0721	0.1361
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0721	0.1573
Mycobacterium ulcerans	hypothetical protein	0.0038	0.0721	0.1361
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0038	0.0721	0.0978
Mycobacterium ulcerans	lipase LipD	0.0038	0.0721	0.1361
Mycobacterium tuberculosis	Conserved protein	0.0038	0.0721	0.0978
Echinococcus multilocularis	short transient receptor potential channel 6	0.0067	0.1631	0.12
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0753	0.0276
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0216	0.0432
Echinococcus granulosus	DNA polymerase delta catalytic subunit	0.0154	0.4453	0.4167
Toxoplasma gondii	ABC1 family protein	0.0038	0.0721	0.1361
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.0721	0.0242
Echinococcus multilocularis	transient receptor potential gamma protein	0.0101	0.2729	0.2354
Brugia malayi	TAR-binding protein	0.0067	0.1658	0.369
Plasmodium falciparum	DNA polymerase epsilon catalytic subunit A, putative	0.0028	0.0396	0.0356
Mycobacterium ulcerans	esterase/lipase LipP	0.0038	0.0721	0.1361
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0753	0.1268
Echinococcus granulosus	transient receptor potential gamma protein	0.0101	0.2729	0.2354
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0721	0.0995
Echinococcus granulosus	TRP transient receptor potential channel	0.0037	0.0692	0.0213
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0547	0.118
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0753	0.1057
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0048	0.1037	0.2288
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0753	0.0662
Loa Loa (eye worm)	TAR-binding protein	0.0067	0.1658	0.369
Loa Loa (eye worm)	hypothetical protein	0.0063	0.1523	0.3384
Trypanosoma cruzi	DNA polymerase epsilon catalytic subunit, putative	0.0051	0.1125	0.2527
Toxoplasma gondii	enoyl-acyl carrier reductase ENR	0.018	0.5296	1
Schistosoma mansoni	DNA polymerase alpha catalytic subunit	0.0051	0.1125	0.1603
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0721	0.1573
Echinococcus multilocularis	DNA polymerase delta catalytic subunit	0.0154	0.4453	0.4167
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0721	0.0995
Loa Loa (eye worm)	hypothetical protein	0.0101	0.2729	0.6107
Plasmodium falciparum	enoyl-acyl carrier reductase	0.018	0.5296	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0692	0.1509
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0753	0.1421
Brugia malayi	DNA polymerase alpha catalytic subunit	0.0051	0.1125	0.2486
Plasmodium falciparum	DNA polymerase delta catalytic subunit	0.0154	0.4453	0.834
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0721	0.1573
Brugia malayi	DNA polymerase delta catalytic subunit	0.0154	0.4453	1
Schistosoma mansoni	DNA polymerase epsilon catalytic subunit	0.0051	0.1125	0.1603
Plasmodium vivax	enoyl-acyl carrier protein reductase	0.018	0.5296	1
Onchocerca volvulus		0.0031	0.049	0.1101
Mycobacterium tuberculosis	Probable lipase LipD	0.0038	0.0721	0.0978
Trypanosoma brucei	DNA polymerase epsilon catalytic subunit, putative	0.0051	0.1125	0.2527
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0721	0.1573
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0028	0.0396	0.0356
Onchocerca volvulus		0.0031	0.049	0.1101
Brugia malayi	Inositol-1	0.0039	0.0753	0.1645
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0048	0.1037	0.2288
Echinococcus multilocularis	DNA polymerase zeta catalytic subunit	0.0051	0.1125	0.0668
Trypanosoma brucei	DNA polymerase delta catalytic subunit, putative	0.0154	0.4453	1
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0396	0.084
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0031	0.049	0.1052
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0584	0.1265
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0396	0.084
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1658	0.2948
Onchocerca volvulus		0.0038	0.0721	0.1619
Onchocerca volvulus		0.0038	0.0721	0.1619
Brugia malayi	beta-lactamase	0.0038	0.0721	0.1573
Brugia malayi	beta-lactamase family protein	0.0038	0.0721	0.1573
Schistosoma mansoni	transient receptor potential channel	0.0101	0.2729	0.5649
Echinococcus granulosus	DNA polymerase zeta catalytic subunit	0.0051	0.1125	0.0668
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0051	0.1125	0.1791
Plasmodium vivax	DNA polymerase alpha, putative	0.0051	0.1125	0.0884
Mycobacterium tuberculosis	Probable hydrolase	0.0038	0.0721	0.0978
Trypanosoma brucei	DNA polymerase alpha catalytic subunit	0.0051	0.1125	0.2527
Trichomonas vaginalis	DNA polymerase alpha catalytic subunit, putative	0.0051	0.1125	0.1791
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0753	0.1057
Echinococcus granulosus	short transient receptor potential channel 6	0.0067	0.1631	0.12
Giardia lamblia	DNA polymerase delta, catalytic subunit	0.0154	0.4453	1
Wolbachia endosymbiont of Brugia malayi	enoyl-ACP reductase	0.018	0.5296	1
Schistosoma mansoni	transient receptor potential channel	0.0067	0.1631	0.2879
Loa Loa (eye worm)	DNA-directed DNA polymerase III	0.0154	0.4453	1
Echinococcus granulosus	transient receptor potential ion channel A	0.0097	0.2621	0.2241
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0721	0.1619
Echinococcus multilocularis	TRP (transient receptor potential) channel	0.0037	0.0692	0.0213
Loa Loa (eye worm)	beta-lactamase	0.0038	0.0721	0.1573
Toxoplasma gondii	DNA polymerase family B protein	0.0023	0.0216	0.0407
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0067	0.1658	0.369
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0721	0.0582
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0721	0.0995
Trypanosoma cruzi	hypothetical protein, conserved	0.0038	0.0721	0.1619
Schistosoma mansoni	transient receptor potential channel 4	0.0101	0.2729	0.5649
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1025	0.226
Chlamydia trachomatis	enoyl-acyl-carrier protein reductase	0.018	0.5296	0.5
Onchocerca volvulus		0.0048	0.1025	0.2302
Mycobacterium tuberculosis	NADH-dependent enoyl-[acyl-carrier-protein] reductase InhA (NADH-dependent enoyl-ACP reductase)	0.018	0.5296	0.7183
Trichomonas vaginalis	hypothetical protein	0.018	0.5296	1
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1658	0.2948
Schistosoma mansoni	transient receptor potential channel	0.0067	0.1631	0.2879
Echinococcus granulosus	dna polymerase epsilon catalytic subunit a	0.0051	0.1125	0.0668
Loa Loa (eye worm)	inositol-1	0.0039	0.0753	0.1645
Trypanosoma brucei	DNA polymerase zeta catalytic subunit, putative	0.0051	0.1125	0.2527
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1658	0.2948
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0753	0.1691
Brugia malayi	DNA polymerase family B containing protein	0.0051	0.1125	0.2486
Trichomonas vaginalis	DNA polymerase delta catalytic subunit, putative	0.0051	0.1125	0.1791
Leishmania major	DNA polymerase I alpha catalytic subunit, putative	0.0051	0.1125	0.2527
Brugia malayi	Intermediate filament tail domain containing protein	0.0031	0.049	0.1052
Brugia malayi	RNA recognition motif domain containing protein	0.0067	0.1658	0.369
Plasmodium vivax	DNA polymerase zeta catalytic subunit, putative	0.0051	0.1125	0.0884
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0753	0.0276
Trichomonas vaginalis	D-aminoacylase, putative	0.0038	0.0721	0.0995
Echinococcus granulosus	tar DNA binding protein	0.0067	0.1658	0.1228
Schistosoma mansoni	cellular tumor antigen P53	0.0048	0.1025	0.135
Toxoplasma gondii	DNA polymerase family B protein	0.0051	0.1125	0.2125
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1658	0.2948
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.0721	0.0242
Mycobacterium tuberculosis	Probable esterase LipL	0.0038	0.0721	0.0978
Trypanosoma cruzi	DNA polymerase I alpha catalytic subunit, putative	0.0051	0.1125	0.2527
Brugia malayi	intermediate filament protein	0.0031	0.049	0.1052
Onchocerca volvulus	DNA polymerase epsilon catalytic subunit A homolog	0.0051	0.1125	0.2527
Mycobacterium tuberculosis	Probable lipase LipE	0.0038	0.0721	0.0978
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0035	0.062	0.0841
Toxoplasma gondii	DNA polymerase (pol2) superfamily protein	0.0051	0.1125	0.2125
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0753	0.1691
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.0721	0.1573
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0038	0.0721	0.0978
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0039	0.0753	0.1421
Loa Loa (eye worm)	hypothetical protein	0.0031	0.0472	0.1011
Brugia malayi	beta-lactamase family protein	0.0038	0.0721	0.1573
Brugia malayi	DNA polymerase family B, exonuclease domain containing protein	0.0051	0.1125	0.2486
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0048	0.1037	0.2288
Leishmania major	DNA polymerase delta catalytic subunit, putative	0.0154	0.4453	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0547	0.118
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.0721	0.0582
Trypanosoma cruzi	DNA polymerase zeta catalytic subunit, putative	0.0023	0.0216	0.0484
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0753	0.1691
Trypanosoma cruzi	DNA polymerase delta catalytic subunit, putative	0.0154	0.4453	1
Leishmania major	DNA polymerase zeta catalytic subunit, putative	0.0023	0.0216	0.0484
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0721	0.1573
Loa Loa (eye worm)	RNA binding protein	0.0067	0.1658	0.369
Trichomonas vaginalis	esterase, putative	0.0038	0.0721	0.0995
Onchocerca volvulus	DNA polymerase homolog	0.0051	0.1125	0.2527
Brugia malayi	Transient-receptor-potential like protein	0.0037	0.0692	0.1509
Echinococcus multilocularis	tar DNA binding protein	0.0067	0.1658	0.1228
Loa Loa (eye worm)	hypothetical protein	0.0048	0.1037	0.2288
Mycobacterium leprae	Probable lipase LipE	0.0038	0.0721	0.0216
Echinococcus multilocularis	dna polymerase epsilon catalytic subunit a	0.0051	0.1125	0.0668
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0245	0.7374	1
Onchocerca volvulus	DNA polymerase delta catalytic subunit homolog	0.0154	0.4453	1
Mycobacterium leprae	NADH-DEPENDENT ENOYL-[ACYL-CARRIER-PROTEIN] REDUCTASE INHA (NADH-DEPENDENT ENOYL-ACP REDUCTASE)	0.018	0.5296	1
Giardia lamblia	DNA polymerase epsilon, catalytic subunit	0.0051	0.1125	0.2147
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1125	0.2486
Mycobacterium ulcerans	enoyl-(acyl carrier protein) reductase	0.018	0.5296	1
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0216	0.0432
Onchocerca volvulus	DNA polymerase alpha catalytic subunit homolog	0.0051	0.1125	0.2527
Schistosoma mansoni	tar DNA-binding protein	0.0067	0.1658	0.2948
Leishmania major	DNA polymerase epsilon catalytic subunit, putative	0.0051	0.1125	0.2527
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0721	0.1573
Schistosoma mansoni	DNA polymerase delta catalytic subunit	0.0154	0.4453	1
Leishmania major	hypothetical protein, conserved	0.0038	0.0721	0.1619
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0753	0.1057
Toxoplasma gondii	DNA polymerase	0.0154	0.4453	0.8408
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.0721	0.1573
Plasmodium vivax	DNA polymerase epsilon, catalytic subunit a, putative	0.0051	0.1125	0.0884
Echinococcus multilocularis	short transient receptor potential channel 6	0.0067	0.1631	0.12
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0038	0.0721	0.1361
Trichomonas vaginalis	penicillin-binding protein, putative	0.0038	0.0721	0.0995
Brugia malayi	RNA binding protein	0.0067	0.1658	0.369
Plasmodium vivax	DNA polymerase delta catalytic subunit, putative	0.0154	0.4453	0.8157
Entamoeba histolytica	DNA polymerase delta catalytic subunit, putative	0.0154	0.4453	1
Schistosoma mansoni	hypothetical protein	0.0033	0.0547	0.0142

Activities

Activity type	Activity value	Assay description	Source	Reference
Log ESA (functional)	= -0.674	Everted sac permeability (ESA) of rat small intestine, after addition of thrombin inhibitor	ChEMBL.	10987422

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

No external resources registered for this compound

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 87977