TDR Targets

Basic information

Technical information

TDR Targets ID: 350546
Name: (2R)-N-(3-imidazol-1-ylpropyl)-2-phenylpropan ethioamide
MW: 273.396 | Formula: C15H19N3S
H donors: 0 H acceptors: 1 LogP: 2.65 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: S/C(=N\CCCn1cncc1)/[C@@H](c1ccccc1)C
InChi: 1S/C15H19N3S/c1-13(14-6-3-2-4-7-14)15(19)17-8-5-10-18-11-9-16-12-18/h2-4,6-7,9,11-13H,5,8,10H2,1H3,(H,17,19)/t13-/m1/s1
InChiKey: FXMZGSXGXXTNAW-CYBMUJFWSA-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

(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-propanethioamide
(2R)-N-[3-(1-imidazolyl)propyl]-2-phenylpropanethioamide
(2R)-N-(3-imidazol-1-ylpropyl)-2-phenyl-thiopropionamide
thioamide deriv. 71

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	glutaminyl-peptide cyclotransferase	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_129821	All targets in OG5_129821
Schistosoma mansoni	glutaminyl cyclase (M28 family)	Get druggable targets OG5_129821	All targets in OG5_129821
Onchocerca volvulus	Glutaminyl cyclase homolog	Get druggable targets OG5_129821	All targets in OG5_129821
Schistosoma japonicum	ko:K00683 glutaminyl-peptide cyclotransferase [EC2.3.2.5], putative	Get druggable targets OG5_129821	All targets in OG5_129821
Echinococcus granulosus	glutaminyl peptide cyclotransferase	Get druggable targets OG5_129821	All targets in OG5_129821
Brugia malayi	Peptidase family M28 containing protein	Get druggable targets OG5_129821	All targets in OG5_129821
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	Get druggable targets OG5_129821	All targets in OG5_129821

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Echinococcus granulosus	endoplasmic reticulum metallopeptidase 1	glutaminyl-peptide cyclotransferase	361 aa	292 aa	21.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	cathepsin l1	0.0141	0.5561	1
Echinococcus multilocularis	cathepsin L cysteine protease	0.0141	0.5561	1
Trypanosoma cruzi	cysteine peptidase, clan CA, family C1, cathepsin L-like, putative	0.0094	0.3266	0.5061
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Leishmania major	cathepsin L-like protease	0.0141	0.5561	0.5
Loa Loa (eye worm)	hypothetical protein	0.0094	0.3266	0.3751
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.5561	0.4313
Plasmodium vivax	vivapain-1	0.0072	0.2195	0.3889
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0914	0.1005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Plasmodium falciparum	cysteine proteinase falcipain 2b	0.0141	0.5561	1
Leishmania major	cathepsin L-like protease	0.0141	0.5561	0.5
Leishmania major	cathepsin L-like protease	0.0141	0.5561	0.5
Onchocerca volvulus	Cathepsin F homolog	0.0141	0.5561	0.5537
Plasmodium falciparum	cysteine proteinase falcipain 3	0.0141	0.5561	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0094	0.3266	0.5833
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.5561	0.4313
Trypanosoma cruzi	cysteine peptidase, putative	0.0072	0.2195	0.2757
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0816	0.1386
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0044	0.0816	0.1386
Brugia malayi	Cathepsin L-like precursor	0.0141	0.5561	0.6431
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Echinococcus multilocularis	cysteine protease	0.0141	0.5561	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Leishmania major	cathepsin L-like protease	0.0141	0.5561	0.5
Onchocerca volvulus		0.0141	0.5561	0.5537
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Echinococcus multilocularis	cysteine protease	0.0141	0.5561	1
Schistosoma mansoni	cathepsin F (C01 family)	0.0141	0.5561	1
Loa Loa (eye worm)	Papain cysteine protease/cathepsin propeptide inhibitor-containing protein	0.0141	0.5561	0.6431
Onchocerca volvulus	Glutaminyl cyclase homolog	0.0136	0.5361	0.5336
Trypanosoma cruzi	cysteine proteinase, putative	0.0072	0.2195	0.2757
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0141	0.5561	0.6431
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0816	0.1468
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Brugia malayi	Cathepsin L-like precursor	0.0141	0.5561	0.6431
Trichomonas vaginalis	set domain proteins, putative	0.023	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0816	0.1386
Echinococcus multilocularis	cathepsin L	0.0072	0.2195	0.3889
Echinococcus multilocularis	glutaminyl peptide cyclotransferase	0.0136	0.5361	0.9636
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.5561	0.4313
Loa Loa (eye worm)	hypothetical protein	0.0141	0.5561	0.6431
Onchocerca volvulus		0.0141	0.5561	0.5537
Plasmodium vivax	unspecified product	0.0046	0.0914	0.1563
Entamoeba histolytica	cysteine proteinase, putative	0.0141	0.5561	1
Leishmania major	cysteine peptidase A (CPA)	0.0141	0.5561	0.5
Brugia malayi	Peptidase family M28 containing protein	0.0136	0.5361	0.6197
Loa Loa (eye worm)	papain family cysteine protease containing protein	0.0046	0.0914	0.1005
Loa Loa (eye worm)	cysteine protease	0.0141	0.5561	0.6431
Echinococcus multilocularis	cathepsin L cysteine protease	0.0141	0.5561	1
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.5561	0.4313
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3266	0.1372
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.5561	0.4313
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Onchocerca volvulus	Cathepsin L homolog	0.0141	0.5561	0.5537
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Echinococcus granulosus	glutaminyl peptide cyclotransferase	0.0136	0.5361	0.9639
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0072	0.2195	0.3889
Brugia malayi	cathepsin L-like precursor	0.0094	0.3266	0.3751
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.8618	1
Entamoeba histolytica	cysteine protease, putative	0.0141	0.5561	1
Echinococcus granulosus	cathepsin L	0.0072	0.2195	0.3947
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.5561	0.4313
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Brugia malayi	Papain family cysteine protease containing protein	0.0141	0.5561	0.6431
Trypanosoma cruzi	cysteine peptidase (N-terminal), putative	0.0072	0.2195	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Echinococcus granulosus	cathepsin L cysteine protease	0.0072	0.2195	0.3947
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.5561	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0141	0.5561	0.4313
Brugia malayi	Cathepsin L-like precursor	0.0141	0.5561	0.6431
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Brugia malayi	cathepsin F-like cysteine proteinase	0.0046	0.0914	0.1005
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Entamoeba histolytica	cysteine proteinase, putative	0.0141	0.5561	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Echinococcus granulosus	cathepsin l cysteine peptidase	0.0141	0.5561	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0914	0.1005
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0094	0.3266	0.1372
Brugia malayi	Cathepsin L-like precursor	0.0141	0.5561	0.6431
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Toxoplasma gondii	cathepsin CPL	0.0141	0.5561	1
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0914	0.1005
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.5561	0.4313
Plasmodium vivax	vivapain-2	0.0141	0.5561	1
Plasmodium vivax	unspecified product	0.0072	0.2195	0.3889
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0044	0.0816	0.0891
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0044	0.0816	0.1468
Leishmania major	cathepsin L-like protease	0.0141	0.5561	0.5
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Schistosoma mansoni	cathepsin F (C01 family)	0.0141	0.5561	1
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Plasmodium falciparum	cysteine proteinase falcipain 2a	0.0141	0.5561	1
Brugia malayi	Cathepsin L-like precursor	0.0094	0.3266	0.3751
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0072	0.2195	0.3889
Brugia malayi	Cathepsin L-like cysteine proteinase	0.0094	0.3266	0.3751
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Onchocerca volvulus		0.0141	0.5561	0.5537
Schistosoma mansoni	cathepsin s	0.0046	0.0914	0.1563
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.5561	0.4313
Brugia malayi	Cathepsin L-like precursor	0.0141	0.5561	0.6431
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Brugia malayi	Pre-SET motif family protein	0.0202	0.8618	1
Onchocerca volvulus	Cathepsin L homolog	0.0141	0.5561	0.5537
Entamoeba histolytica	cysteine proteinase, putative	0.0094	0.3266	0.3182
Loa Loa (eye worm)	hypothetical protein	0.0094	0.3266	0.3751
Echinococcus granulosus	cysteine protease	0.0072	0.2195	0.3947
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Leishmania major	cathepsin L-like protease	0.0141	0.5561	0.5
Trichomonas vaginalis	Clan CA, family C1, papain-like cysteine peptidase	0.0141	0.5561	0.4313
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.5561	1
Leishmania major	cathepsin L-like protease	0.0141	0.5561	0.5
Loa Loa (eye worm)	hypothetical protein	0.0136	0.5361	0.6197
Loa Loa (eye worm)	ctsf protein	0.0141	0.5561	0.6431
Echinococcus granulosus	cathepsin l1	0.0094	0.3266	0.5873
Leishmania major	cathepsin L-like protease	0.0141	0.5561	0.5
Brugia malayi	Papain family cysteine protease containing protein	0.0072	0.2195	0.2501
Plasmodium vivax	vivapain-3	0.0072	0.2195	0.3889
Schistosoma mansoni	glutaminyl cyclase (M28 family)	0.0136	0.5361	0.9636
Brugia malayi	Cathepsin L-like precursor	0.0141	0.5561	0.6431
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Loa Loa (eye worm)	fibroinase	0.0141	0.5561	0.6431
Trypanosoma cruzi	cysteine protease, putative	0.0072	0.2195	0.2757
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0053	0.0095
Brugia malayi	Cathepsin L-like precursor	0.0094	0.3266	0.3751
Onchocerca volvulus		0.0141	0.5561	0.5537
Trichomonas vaginalis	Clan CA, family C1, cathepsin L or K-like cysteine peptidase	0.0141	0.5561	0.4313
Trypanosoma cruzi	cruzipain precursor, putative	0.0141	0.5561	1
Onchocerca volvulus		0.0141	0.5561	0.5537
Trypanosoma cruzi	cysteine proteinase, putative	0.0072	0.2195	0.2757
Trichomonas vaginalis	Clan CA, family C1, cathepsin L-like cysteine peptidase	0.0141	0.5561	0.4313
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.5561	1
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0141	0.5561	1
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0044	0.0816	0.0891
Brugia malayi	Papain family cysteine protease containing protein	0.0072	0.2195	0.2501
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0816	0.1386
Onchocerca volvulus		0.0141	0.5561	0.5537
Trypanosoma brucei	cysteine peptidase, Clan CA, family C1, Cathepsin L-like	0.0141	0.5561	1
Plasmodium vivax	vivapain-2	0.0141	0.5561	1
Onchocerca volvulus		0.0141	0.5561	0.5537
Schistosoma mansoni	SmCL2-like peptidase (C01 family)	0.0072	0.2195	0.3889
Trypanosoma cruzi	cysteine peptidase, putative	0.0141	0.5561	1
Brugia malayi	Cathepsin L-like precursor	0.0046	0.0914	0.1005
Echinococcus granulosus	cathepsin L cysteine proteinase	0.0141	0.5561	1
Onchocerca volvulus		0.0094	0.3266	0.323
Brugia malayi	cathepsin L-like cysteine proteinase, identical	0.0046	0.0914	0.1005
Echinococcus multilocularis	cathepsin l cysteine peptidase	0.0141	0.5561	1
Loa Loa (eye worm)	hypothetical protein	0.0094	0.3266	0.3751
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0044	0.0816	0.1386

Activities

Activity type	Activity value	Assay description	Source	Reference
Ki (binding)	= 7.34 uM	Inhibitory activity against human glutaminyl cyclase	ChEMBL.	16420052
Ki (binding)	= 7.34 uM	Inhibitory activity against human glutaminyl cyclase	ChEMBL.	16420052

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

PubChem: 6539208

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 350546