TDR Targets

Basic information

Technical information

TDR Targets ID: 1455434
Name: 4-(2,5-dioxopyrrolidin-1-yl)-N-(5-ethyl-1,3,4 -thiadiazol-2-yl)benzamide
MW: 330.362 | Formula: C15H14N4O3S
H donors: 1 H acceptors: 5 LogP: 1.15 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCc1nnc(s1)NC(=O)c1ccc(cc1)N1C(=O)CCC1=O
InChi: 1S/C15H14N4O3S/c1-2-11-17-18-15(23-11)16-14(22)9-3-5-10(6-4-9)19-12(20)7-8-13(19)21/h3-6H,2,7-8H2,1H3,(H,16,18,22)
InChiKey: MANXKRBYRNVYKZ-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

4-(2,5-dioxo-1-pyrrolidinyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzamide
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-succinimido-benzamide
SMR000018310
Oprea1_040131
ZINC04072247
MLS000100661

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus multilocularis	geminin	0.0341	0.8274	0.8274
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0636	0.2181
Brugia malayi	RNA recognition motif domain containing protein	0.0132	0.2916	1
Trichomonas vaginalis	esterase, putative	0.0043	0.0636	0.5065
Onchocerca volvulus		0.006	0.1053	1
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.0636	0.2181
Brugia malayi	beta-lactamase	0.0043	0.0636	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0492	0.1689
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.0636	0.5
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.0636	0.0636
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.0636	0.0956
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0832	0.1005
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0492	0.2727
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0492	0.3922
Echinococcus multilocularis	chromobox protein 1	0.0068	0.1255	0.1255
Mycobacterium leprae	Probable lipase LipE	0.0043	0.0636	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0832	0.1005
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.0636	0.0956
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0636	0.0956
Onchocerca volvulus		0.0043	0.0636	0.4588
Brugia malayi	RNA binding protein	0.0132	0.2916	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0148	0.5
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0566	0.3686
Schistosoma mansoni	chromobox protein	0.0068	0.1255	0.1517
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0636	0.0956
Giardia lamblia	DINP protein human, muc B family	0.0019	0	0.5
Mycobacterium tuberculosis	Conserved protein	0.0043	0.0636	0.0956
Brugia malayi	beta-lactamase family protein	0.0043	0.0636	0.2181
Brugia malayi	hypothetical protein	0.0024	0.0148	0.0508
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0208	0.1658
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0832	0.0832
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.1255	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0129	0.2831	0.971
Loa Loa (eye worm)	hypothetical protein	0.003	0.0282	0.0967
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0636	0.5065
Echinococcus multilocularis	tumor protein p63	0.0408	1	1
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.0636	1
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0208	0.1658
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.0636	0.0956
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0132	0.2916	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0051	0.0832	0.0832
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.0636	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0832	0.0832
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.0636	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0148	0.0508
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0636	0.5065
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0566	0.4511
Loa Loa (eye worm)	hypothetical protein	0.006	0.1053	0.3612
Entamoeba histolytica	deoxycytidyl transferase, putative	0.0019	0	0.5
Echinococcus granulosus	geminin	0.0341	0.8274	0.8274
Mycobacterium ulcerans	beta-lactamase	0.0043	0.0636	1
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.2916	0.3524
Leishmania major	hypothetical protein, conserved	0.0043	0.0636	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0636	0.0768
Onchocerca volvulus		0.0043	0.0636	0.4588
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0278	0.6654	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.0636	0.0768
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0636	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0636	0.2181
Echinococcus granulosus	chromobox protein 1	0.0068	0.1255	0.1255
Echinococcus granulosus	chromobox protein 1	0.0068	0.1255	0.1255
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0636	0.2181
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0636	0.2181
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.2916	0.3524
Brugia malayi	MH2 domain containing protein	0.0129	0.2831	0.971
Leishmania major	hypothetical protein, conserved	0.0024	0.0148	0.2329
Brugia malayi	TAR-binding protein	0.0132	0.2916	1
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.1255	1
Echinococcus multilocularis	tar DNA binding protein	0.0132	0.2916	0.2916
Toxoplasma gondii	ABC1 family protein	0.0043	0.0636	1
Brugia malayi	beta-lactamase family protein	0.0043	0.0636	0.2181
Brugia malayi	Heterochromatin protein 1	0.0068	0.1255	0.4305
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.0636	0.0956
Loa Loa (eye worm)	beta-lactamase	0.0043	0.0636	0.2181
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0148	0.2329
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.0636	1
Brugia malayi	chromobox protein homolog 3	0.0038	0.0492	0.1689
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.2916	0.3524
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0492	0.3922
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.0636	1
Mycobacterium ulcerans	hypothetical protein	0.0043	0.0636	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.0636	0.5065
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.0636	0.0956
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.0636	0.0636
Echinococcus multilocularis	chromobox protein 1	0.0068	0.1255	0.1255
Mycobacterium ulcerans	lipase LipD	0.0043	0.0636	1
Schistosoma mansoni	cellular tumor antigen P53	0.006	0.1053	0.1273
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0051	0.0832	0.2853
Loa Loa (eye worm)	TAR-binding protein	0.0132	0.2916	1
Loa Loa (eye worm)	RNA binding protein	0.0132	0.2916	1
Schistosoma mansoni	hypothetical protein	0.0341	0.8274	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0051	0.0832	0.1005
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0148	0.2329
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0636	0.5065
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.1255	0.4305
Schistosoma mansoni	chromobox protein	0.0068	0.1255	0.1517
Onchocerca volvulus		0.0043	0.0636	0.4588
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0051	0.0832	0.2853
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0636	0.2181
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0566	0.4511
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.0636	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0148	0.5
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.0636	0.0956
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.2916	0.3524
Schistosoma mansoni	hypothetical protein	0.0341	0.8274	1
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0636	0.2181
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.0636	0.0956
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.0636	0.5065
Loa Loa (eye worm)	transcription factor SMAD2	0.0129	0.2831	0.971
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0148	0.2329
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0051	0.0832	0.0832
Schistosoma mansoni	tar DNA-binding protein	0.0132	0.2916	0.3524
Echinococcus granulosus	tar DNA binding protein	0.0132	0.2916	0.2916

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	4.1475 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	4.6535 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	20.5962 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS assay for re-activators of p53 using a Luc reporter. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504709]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Rango (Ran-regulated importin-beta cargo) - Importin beta complex formation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID540273]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23

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: CHEMBL1608972

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 1455434