TDR Targets

Basic information

Technical information

TDR Targets ID: 1291393
Name: 1-(4-acetylpiperazin-1-yl)-3-(1H-indol-3-yl)p ropan-1-one
MW: 299.368 | Formula: C17H21N3O2
H donors: 1 H acceptors: 2 LogP: 1.01 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCN(CC1)C(=O)C)CCc1c[nH]c2c1cccc2
InChi: 1S/C17H21N3O2/c1-13(21)19-8-10-20(11-9-19)17(22)7-6-14-12-18-16-5-3-2-4-15(14)16/h2-5,12,18H,6-11H2,1H3
InChiKey: BTJRGXHSXSMEBD-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

1-(4-acetyl-1-piperazinyl)-3-(1H-indol-3-yl)propan-1-one
1-(4-ethanoylpiperazin-1-yl)-3-(1H-indol-3-yl)propan-1-one
MLS000053237
ZINC03491728
SMR000067923
T5331596

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	galactosidase, alpha	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Echinococcus multilocularis	Glycoside hydrolase, family 27	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Echinococcus granulosus	Alpha N acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Neospora caninum	hypothetical protein	Get druggable targets OG5_127620	All targets in OG5_127620
Toxoplasma gondii	melibiase subfamily protein	Get druggable targets OG5_127620	All targets in OG5_127620
Brugia malayi	Melibiase family protein	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	Alpha-N-acetylgalactosaminidase, putative	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	Alpha-N-acetylgalactosaminidase precursor, putative	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	ko:K01204 alpha-N-acetylgalactosaminidase [EC3.2.1.49], putative	Get druggable targets OG5_127620	All targets in OG5_127620
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	Get druggable targets OG5_127620	All targets in OG5_127620
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127620	All targets in OG5_127620
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	Alpha-N-acetylgalactosaminidase, putative	Get druggable targets OG5_127620	All targets in OG5_127620
Schistosoma japonicum	Alpha-N-acetylgalactosaminidase, putative	Get druggable targets OG5_127620	All targets in OG5_127620

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
Schistosoma mansoni	transcription factor LCR-F1	0.0042	0.0937	0.1369
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0938	0.2932
Leishmania major	hypothetical protein, conserved	0.0042	0.0938	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0938	0.2932
Brugia malayi	beta-lactamase family protein	0.0042	0.0938	0.2932
Brugia malayi	RNA binding protein	0.0062	0.1743	0.5444
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0246	1
Loa Loa (eye worm)	TAR-binding protein	0.0062	0.1743	0.5444
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0042	0.0938	0.0938
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0042	0.0937	0.1369
Schistosoma mansoni	hypothetical protein	0.0042	0.0937	0.1369
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1743	0.2546
Mycobacterium ulcerans	esterase/lipase LipP	0.0042	0.0938	1
Echinococcus multilocularis	tar DNA binding protein	0.0062	0.1743	0.2546
Mycobacterium tuberculosis	Probable lipase LipE	0.0042	0.0938	0.0938
Trypanosoma brucei	hypothetical protein, conserved	0.0042	0.0938	1
Mycobacterium leprae	conserved hypothetical protein	0.0042	0.0938	0.5
Echinococcus granulosus	tar DNA binding protein	0.0062	0.1743	0.2546
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0938	0.0938
Brugia malayi	TAR-binding protein	0.0062	0.1743	0.5444
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1743	0.2546
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0938	1
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0938	0.3623
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0246	0.2621
Toxoplasma gondii	LsmAD domain-containing protein	0.0024	0.0246	0.0578
Entamoeba histolytica	hypothetical protein	0.0042	0.0937	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0938	0.1371
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.3201	0.4676
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	0.4255	0.6215
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0098	0.3201	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0042	0.0938	0.2932
Schistosoma mansoni	hypothetical protein	0.0038	0.0783	0.1144
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0082	0.259	0.3783
Entamoeba histolytica	hypothetical protein	0.0042	0.0937	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0042	0.0938	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0938	0.2932
Trypanosoma cruzi	PAB1-binding protein , putative	0.0024	0.0246	0.2621
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0042	0.0938	0.2932
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0055	0.1489	0.4653
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.3201	0.4676
Brugia malayi	Melibiase family protein	0.0082	0.259	0.8091
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.3201	0.4676
Echinococcus granulosus	geminin	0.0188	0.6845	1
Mycobacterium leprae	Probable lipase LipE	0.0042	0.0938	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0042	0.0938	0.1371
Plasmodium falciparum	ataxin-2 like protein, putative	0.0024	0.0246	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0042	0.0938	0.1371
Entamoeba histolytica	hypothetical protein	0.0042	0.0937	1
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0062	0.1743	0.5444
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0938	0.3623
Brugia malayi	hypothetical protein	0.0024	0.0246	0.0768
Loa Loa (eye worm)	RNA binding protein	0.0062	0.1743	0.5444
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0938	0.3623
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0098	0.3201	0.4676
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0938	0.0938
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0042	0.0937	0.1369
Trichomonas vaginalis	esterase, putative	0.0042	0.0938	0.3623
Leishmania major	hypothetical protein, conserved	0.0024	0.0246	0.2621
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1743	0.2546
Mycobacterium tuberculosis	Probable lipase LipD	0.0042	0.0938	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0082	0.259	0.8091
Toxoplasma gondii	melibiase subfamily protein	0.0124	0.4255	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	0.4255	0.6215
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1743	0.2546
Echinococcus multilocularis	Glycoside hydrolase, family 27	0.0124	0.4255	0.6215
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0055	0.1489	0.4653
Loa Loa (eye worm)	beta-lactamase	0.0042	0.0938	0.2932
Mycobacterium ulcerans	lipase LipD	0.0042	0.0938	1
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0042	0.0938	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0246	0.0768
Mycobacterium ulcerans	beta-lactamase	0.0042	0.0938	1
Brugia malayi	hypothetical protein	0.0042	0.0937	0.2928
Brugia malayi	latrophilin 2 splice variant baaae	0.0038	0.0783	0.2446
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	0.4255	0.6215
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0042	0.0938	0.1371
Mycobacterium ulcerans	hypothetical protein	0.0042	0.0938	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0938	0.2932
Onchocerca volvulus		0.0042	0.0938	0.5
Schistosoma mansoni	hypothetical protein	0.0188	0.6845	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.3201	0.4676
Echinococcus multilocularis	geminin	0.0188	0.6845	1
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0938	0.2932
Toxoplasma gondii	ABC1 family protein	0.0042	0.0938	0.2205
Echinococcus multilocularis	Alpha N acetylgalactosaminidase	0.0124	0.4255	0.6215
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0055	0.1489	0.4653
Plasmodium vivax	ataxin-2 like protein, putative	0.0024	0.0246	0.2621
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0042	0.0938	1
Mycobacterium tuberculosis	Conserved protein	0.0042	0.0938	0.0938
Brugia malayi	beta-lactamase	0.0042	0.0938	0.2932
Trypanosoma cruzi	hypothetical protein, conserved	0.0042	0.0938	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0098	0.3201	0.4676
Schistosoma mansoni	tar DNA-binding protein	0.0062	0.1743	0.2546
Onchocerca volvulus		0.0042	0.0938	0.5
Trichomonas vaginalis	D-aminoacylase, putative	0.0042	0.0938	0.3623
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0938	0.2932
Entamoeba histolytica	hypothetical protein	0.0042	0.0937	1
Mycobacterium tuberculosis	Probable esterase LipL	0.0042	0.0938	0.0938
Loa Loa (eye worm)	hypothetical protein	0.0055	0.1489	0.4653
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0783	0.2446
Brugia malayi	beta-lactamase family protein	0.0042	0.0938	0.2932
Brugia malayi	RNA recognition motif domain containing protein	0.0062	0.1743	0.5444
Trichomonas vaginalis	alpha-galactosidase/alpha-N-acetylgalactosaminidase, putative	0.0082	0.259	1
Trypanosoma brucei	PAB1-binding protein , putative	0.0024	0.0246	0.2621
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0098	0.3201	0.4676
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0124	0.4255	0.6215
Mycobacterium tuberculosis	Probable hydrolase	0.0042	0.0938	0.0938
Trichomonas vaginalis	penicillin-binding protein, putative	0.0042	0.0938	0.3623
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0098	0.3201	1
Plasmodium vivax	hypothetical protein, conserved	0.0042	0.0938	1
Schistosoma mansoni	alpha-galactosidase/alpha-n-acetylgalactosaminidase	0.0082	0.259	0.3783
Onchocerca volvulus		0.0042	0.0938	0.5
Echinococcus granulosus	Alpha N acetylgalactosaminidase	0.0124	0.4255	0.6215
Schistosoma mansoni	hypothetical protein	0.0188	0.6845	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.122 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of Human alpha-Galactosidase From Spleen Homogenate. (Class of assay: confirmatory) [Related pubchem assays: 1472, 1467 ]	ChEMBL.	No reference
Potency (functional)	100 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

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

ChEMBL: CHEMBL1393557

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 1291393