TDR Targets

Basic information

Technical information

TDR Targets ID: 1066400
Name: 1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol- 2-yl]-N-(1-phenylethyl)piperidine-4-carboxami de
MW: 399.51 | Formula: C20H25N5O2S
H donors: 1 H acceptors: 4 LogP: 2.25 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: O=C(C1CCN(CC1)c1nnc(s1)N1CCCC1=O)NC(c1ccccc1)C
InChi: 1S/C20H25N5O2S/c1-14(15-6-3-2-4-7-15)21-18(27)16-9-12-24(13-10-16)19-22-23-20(28-19)25-11-5-8-17(25)26/h2-4,6-7,14,16H,5,8-13H2,1H3,(H,21,27)
InChiKey: JBEFSHMDNKPOSV-UHFFFAOYSA-N

Network

Hover on a compound node to display the structore

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

This is a work in progress. Come back soon to try this features!

Clustering layers

This is a work in progress. Come back soon to try this features!

Synonyms

1-[5-(2-oxo-1-pyrrolidinyl)-1,3,4-thiadiazol-2-yl]-N-(1-phenylethyl)-4-piperidinecarboxamide
1-[5-(2-ketopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]-N-(1-phenylethyl)isonipecotamide

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	set domain proteins, putative	0.0238	0.3976	0.7895
Mycobacterium ulcerans	2-succinyl-5-enolpyruvyl-6-hydroxy-3-cyclohexene-1-carboxylate synthase	0.0098	0.1326	0.1176
Trichomonas vaginalis	glutaminase, putative	0.0291	0.4991	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0242	0.4066	0.6953
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0048	0.0364	0.0344
Loa Loa (eye worm)	hypothetical protein	0.0038	0.017	0.0256
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0364	0.0406
Brugia malayi	beta-lactamase family protein	0.0038	0.017	0.0149
Loa Loa (eye worm)	hypothetical protein	0.0038	0.017	0.0256
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0243	0.4076	0.697
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.017	0.0176
Plasmodium vivax	acyl-CoA synthetase, putative	0.0317	0.5487	1
Mycobacterium ulcerans	hypothetical protein	0.0179	0.286	0.2737
Mycobacterium leprae	PROBABLE BIFUNCTIONAL MENAQUINONE BIOSYNTHESIS PROTEIN MEND : 2-SUCCINYL-6-HYDROXY-2,4-CYCLOHEXADIENE-1-CARBOXYLATE SYNTHASE (SH	0.0098	0.1326	0.1176
Schistosoma mansoni	acetolactate synthase	0.0474	0.8466	1
Loa Loa (eye worm)	glutaminase	0.0291	0.4991	0.8542
Loa Loa (eye worm)	ILVBL protein	0.0336	0.5838	1
Mycobacterium tuberculosis	Probable oxalyl-CoA decarboxylase OxcA	0.0554	1	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0038	0.017	0.0176
Mycobacterium tuberculosis	Probable oxidoreductase (beta subunit)	0.0081	0.0985	0.083
Brugia malayi	beta-lactamase	0.0038	0.017	0.0149
Brugia malayi	MH2 domain containing protein	0.0242	0.4066	0.4053
Mycobacterium tuberculosis	Acetolactate synthase (large subunit) IlvB1 (acetohydroxy-acid synthase)	0.0237	0.3963	0.3859
Loa Loa (eye worm)	hypothetical protein	0.0038	0.017	0.0256
Loa Loa (eye worm)	thiamine pyrophosphate enzyme	0.0318	0.5498	0.9414
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.0985	0.1692
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0364	0.1963
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.0179	0.286	1
Mycobacterium tuberculosis	Probable acetolactate synthase IlvG (acetohydroxy-acid synthase)(ALS)	0.0554	1	1
Echinococcus multilocularis	Mitotic checkpoint protein PRCC, C terminal	0.0126	0.1856	0.9048
Brugia malayi	Pre-SET motif family protein	0.0209	0.3426	0.3412
Trypanosoma brucei	phosphonopyruvate decarboxylase-like protein, putative	0.0179	0.286	1
Leishmania major	putative pyruvate/indole-pyruvate carboxylase, putative	0.0317	0.5487	1
Schistosoma mansoni	acetolactate synthase	0.0474	0.8466	1
Brugia malayi	glutaminase DH11.1	0.0291	0.4991	0.498
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0364	0.0406
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0038	0.017	0.0149
Loa Loa (eye worm)	beta-lactamase	0.0038	0.017	0.0256
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0241	0.4044	0.3941
Mycobacterium ulcerans	2-oxoglutarate ferredoxin oxidoreductase subunit beta	0.0081	0.0985	0.083
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.0179	0.286	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.017	0.0256
Leishmania major	phosphonopyruvate decarboxylase-like protein	0.0179	0.286	0.506
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0048	0.0364	0.0406
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0038	0.017	0.0734
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0364	0.1693
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.0985	0.1692
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.0985	0.1692
Onchocerca volvulus		0.0038	0.017	0.0376
Mycobacterium ulcerans	acetolactate synthase	0.0317	0.5487	0.541
Mycobacterium ulcerans	putative oxalyl-CoA decarboxylase	0.0554	1	1
Plasmodium falciparum	acyl-CoA synthetase	0.0317	0.5487	0.5
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0048	0.0364	0.059
Echinococcus granulosus	Mitotic checkpoint protein PRCC C terminal	0.0126	0.1856	1
Loa Loa (eye worm)	hypothetical protein	0.0038	0.017	0.0256
Brugia malayi	beta-lactamase family protein	0.0038	0.017	0.0149
Loa Loa (eye worm)	transcription factor SMAD2	0.0242	0.4066	0.6953
Brugia malayi	follicle stimulating hormone receptor	0.0243	0.4076	0.4063
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.2049	0.2401
Onchocerca volvulus		0.0038	0.017	0.0376
Schistosoma mansoni	hypothetical protein	0.0126	0.1856	0.2172
Giardia lamblia	Pyruvate-flavodoxin oxidoreductase	0.0081	0.0985	0.5
Trypanosoma cruzi	phosphonopyruvate decarboxylase, putative	0.0179	0.286	1
Loa Loa (eye worm)	glutaminase 2	0.0291	0.4991	0.8542
Mycobacterium ulcerans	acetolactate synthase large subunit IlvB	0.0317	0.5487	0.541
Loa Loa (eye worm)	hypothetical protein	0.0038	0.017	0.0256
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0136	0.2049	1
Mycobacterium ulcerans	acetolactate synthase 1 catalytic subunit	0.0554	1	1
Onchocerca volvulus		0.0238	0.3976	1
Echinococcus granulosus	beta LACTamase domain containing family member	0.0038	0.017	0.0915
Mycobacterium leprae	Probable Acetolactate synthase IlvG (Acetohydroxy-acid synthase)(ALS)	0.0554	1	1
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.0985	0.1692
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0038	0.017	0.0256
Schistosoma mansoni	glutaminase	0.0291	0.4991	0.5885
Toxoplasma gondii	ABC1 family protein	0.0038	0.017	1
Plasmodium vivax	hypothetical protein, conserved	0.0038	0.017	0.0272
Treponema pallidum	pyruvate oxidoreductase	0.0081	0.0985	0.5
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0209	0.3426	0.5854
Mycobacterium leprae	PROBABLE ACETOLACTATE SYNTHASE (LARGE SUBUNIT) ILVB (ACETOHYDROXY-ACID SYNTHASE)	0.0554	1	1
Mycobacterium ulcerans	glutaminase	0.0291	0.4991	0.4904
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.0985	0.1692
Mycobacterium ulcerans	hypothetical protein	0.0554	1	1
Onchocerca volvulus		0.0038	0.017	0.0376
Schistosoma mansoni	thyroid hormone receptor	0.0136	0.2049	0.2401
Trichomonas vaginalis	pyruvate-flavodoxin oxidoreductase, putative	0.0081	0.0985	0.1692
Mycobacterium ulcerans	pyruvate or indole-3-pyruvate decarboxylase Pdc	0.0317	0.5487	0.541
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0048	0.0364	0.1693
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0048	0.0364	0.1963
Entamoeba histolytica	pyruvate:ferredoxin oxidoreductase	0.0081	0.0985	0.5
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0021	0.0113

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	13.1154 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)	18.526 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

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: CHEMBL1866736

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 1066400