TDR Targets

Basic information

Technical information

TDR Targets ID: 725652
Name: [4-(3-chlorophenyl)piperazin-1-yl]-(3-prop-2- enoxyphenyl)methanone
MW: 356.846 | Formula: C20H21ClN2O2
H donors: 0 H acceptors: 1 LogP: 4.22 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: C=CCOc1cccc(c1)C(=O)N1CCN(CC1)c1cccc(c1)Cl
InChi: 1S/C20H21ClN2O2/c1-2-13-25-19-8-3-5-16(14-19)20(24)23-11-9-22(10-12-23)18-7-4-6-17(21)15-18/h2-8,14-15H,1,9-13H2
InChiKey: OFSQGVFILJOEAH-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

(3-allyloxyphenyl)-[4-(3-chlorophenyl)piperazin-1-yl]methanone
(3-allyloxyphenyl)-[4-(3-chlorophenyl)-1-piperazinyl]methanone
ZINC04841916

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
Brugia malayi	beta-lactamase	0.0035	0.0117	0.017
Brugia malayi	hypothetical protein	0.0053	0.0417	0.0681
Loa Loa (eye worm)	acetyltransferase	0.016	0.22	0.3724
Schistosoma mansoni	high-affinity choline transporter	0.038	0.5877	1
Brugia malayi	Latrophilin receptor protein 2	0.0116	0.1468	0.2474
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0117	0.017
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2726	0.6093
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2726	0.6093
Brugia malayi	Sodium:solute symporter family protein	0.0042	0.0234	0.0369
Mycobacterium ulcerans	hypothetical protein	0.0331	0.5047	1
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0117	0.017
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0117	0.1201
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2176	0.3683
Entamoeba histolytica	exodeoxyribonuclease III, putative	0.0079	0.0847	1
Echinococcus granulosus	solute carrier family 5	0.0042	0.0234	0.0398
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0366	0.5644	0.9603
Schistosoma mansoni	hypothetical protein	0.0251	0.3711	0.6304
Trichomonas vaginalis	glucosylceramidase, putative	0.0292	0.4399	1
Onchocerca volvulus		0.0042	0.0234	0.0645
Trichomonas vaginalis	glucosylceramidase, putative	0.0292	0.4399	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0117	0.017
Trichomonas vaginalis	glucosylceramidase, putative	0.0202	0.2898	0.6494
Onchocerca volvulus		0.0035	0.0117	0.0297
Echinococcus granulosus	sodium:myo inositol cotransporter	0.0042	0.0234	0.0398
Entamoeba histolytica	acetyltransferase, GNAT family	0.0043	0.0253	0.0595
Onchocerca volvulus		0.0035	0.0117	0.0297
Trypanosoma brucei	glucosidase, putative	0.0041	0.0215	0.0099
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0108	0.1328	0.1225
Trypanosoma brucei	apurinic/apyrimidinic endonuclease, putative	0.0079	0.0847	0.0739
Loa Loa (eye worm)	hypothetical protein	0.0096	0.113	0.1898
Trichomonas vaginalis	set domain proteins, putative	0.023	0.3371	0.7599
Toxoplasma gondii	histone lysine acetyltransferase GCN5-A	0.0047	0.0318	0.2494
Schistosoma mansoni	ap endonuclease	0.0079	0.0847	0.1416
Brugia malayi	hypothetical protein	0.0078	0.0841	0.1405
Schistosoma mansoni	transcription factor LCR-F1	0.0078	0.0841	0.1405
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.2602	0.441
Entamoeba histolytica	hypothetical protein	0.0078	0.0841	0.9896
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0116	0.1468	0.2474
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0184	0.2602	0.4427
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0116	0.1468	0.2474
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0116	0.1468	0.2497
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0078	0.0841	0.1431
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0202	0.2905	0.4928
Schistosoma mansoni	tar DNA-binding protein	0.0196	0.2809	0.4764
Schistosoma mansoni	inositol transporter	0.0042	0.0234	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0117	0.017
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0366	0.5644	0.9603
Echinococcus multilocularis	high affinity choline transporter 1	0.038	0.5877	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0292	0.4399	1
Schistosoma mansoni	tar DNA-binding protein	0.0196	0.2809	0.4764
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0117	0.017
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease, putative	0.0079	0.0847	0.0739
Leishmania major	alpha glucosidase II subunit, putative	0.0041	0.0215	0.0099
Echinococcus granulosus	lysosomal alpha glucosidase	0.0184	0.2603	0.4429
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0215	0.0229
Schistosoma mansoni	sodium/solute symporter	0.0042	0.0234	0.0369
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0628	1	1
Echinococcus granulosus	neutral alpha glucosidase AB	0.0041	0.0215	0.0366
Entamoeba histolytica	hypothetical protein	0.0078	0.0841	0.9896
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0184	0.2602	0.441
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2726	0.6093
Toxoplasma gondii	hypothetical protein	0.0101	0.1222	1
Brugia malayi	exodeoxyribonuclease III family protein	0.0079	0.0847	0.1416
Echinococcus multilocularis	sodium:myo inositol cotransporter	0.0042	0.0234	0.0369
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0215	0.0229
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0215	0.0229
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0041	0.0215	0.0337
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0297	0.4487	0.4422
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0117	0.02
Schistosoma mansoni	tar DNA-binding protein	0.0196	0.2809	0.4764
Trichomonas vaginalis	maltase-glucoamylase, putative	0.0041	0.0215	0.0229
Trichomonas vaginalis	glucosylceramidase, putative	0.0202	0.2898	0.6494
Echinococcus multilocularis	DNA (apurinic or apyrimidinic site) lyase	0.0079	0.0847	0.1416
Schistosoma mansoni	alpha glucosidase	0.0041	0.0215	0.0337
Trypanosoma cruzi	mitochondrial DNA polymerase beta-PAK, putative	0.0088	0.1006	0.0899
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0215	0.0229
Brugia malayi	latrophilin 2 splice variant baaae	0.0251	0.3711	0.6304
Schistosoma mansoni	hypothetical protein	0.0116	0.1468	0.2474
Echinococcus multilocularis	gcn5proteinral control of amino acid synthesis	0.016	0.22	0.3724
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0184	0.2602	0.441
Brugia malayi	hypothetical protein	0.0034	0.0104	0.0147
Brugia malayi	acetyltransferase, GNAT family protein	0.016	0.22	0.3724
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0184	0.2603	0.4412
Loa Loa (eye worm)	hypothetical protein	0.0053	0.0417	0.0681
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0417	0.0303
Leishmania major	hypothetical protein, conserved	0.0053	0.0417	0.0303
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0117	0.017
Trichomonas vaginalis	bromodomain-containing protein, putative	0.0047	0.0318	0.0469
Treponema pallidum	exodeoxyribonuclease (exoA)	0.0079	0.0847	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0215	0.0099
Trichomonas vaginalis	ap endonuclease, putative	0.0079	0.0847	0.1705
Brugia malayi	O-Glycosyl hydrolase family 30 protein	0.0292	0.4399	0.7477
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0117	0.017
Loa Loa (eye worm)	exodeoxyribonuclease III family protein	0.0079	0.0847	0.1416
Toxoplasma gondii	exonuclease III APE	0.0079	0.0847	0.6887
Echinococcus multilocularis	tar DNA binding protein	0.0196	0.2809	0.4764
Trichomonas vaginalis	neutral alpha-glucosidase ab precursor, putative	0.0041	0.0215	0.0229
Entamoeba histolytica	hypothetical protein	0.0078	0.0841	0.9896
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0223	0.326	0.6374
Schistosoma mansoni	inositol transporter	0.0042	0.0234	0.0369
Trichomonas vaginalis	glucosylceramidase, putative	0.0292	0.4399	1
Loa Loa (eye worm)	RNA binding protein	0.0196	0.2809	0.4764
Trypanosoma cruzi	mitochondrial DNA polymerase beta, putative	0.0628	1	1
Trichomonas vaginalis	ap endonuclease, putative	0.0079	0.0847	0.1705
Brugia malayi	beta-lactamase family protein	0.0035	0.0117	0.017
Echinococcus granulosus	DNA apurinic or apyrimidinic site lyase	0.0079	0.0847	0.1442
Trypanosoma brucei	PAB1-binding protein , putative	0.0053	0.0417	0.0303
Mycobacterium tuberculosis	Probable exodeoxyribonuclease III protein XthA (exonuclease III) (EXO III) (AP endonuclease VI)	0.0079	0.0847	0.1481
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0117	0.017
Giardia lamblia	Endonuclease/Exonuclease/phosphatase	0.0079	0.0847	1
Echinococcus granulosus	tar DNA binding protein	0.0196	0.2809	0.478
Leishmania major	apurinic/apyrimidinic endonuclease-redox protein	0.0079	0.0847	0.0739
Entamoeba histolytica	hypothetical protein	0.0078	0.0841	0.9896
Trichomonas vaginalis	cat eye syndrome critical region protein 2, cscr2, putative	0.0047	0.0318	0.0469
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0117	0.017
Onchocerca volvulus	Glucosylceramidase homolog	0.0191	0.2726	0.8077
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0116	0.1468	0.2474
Echinococcus granulosus	sodium:glucose cotransporter 2	0.0042	0.0234	0.0398
Trypanosoma brucei	mitochondrial DNA polymerase beta	0.0628	1	1
Brugia malayi	Glycosyl hydrolases family 31 protein	0.0184	0.2603	0.4412
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0117	0.017
Loa Loa (eye worm)	hypothetical protein	0.038	0.5877	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0292	0.4399	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2726	0.6093
Schistosoma mansoni	hypothetical protein	0.0116	0.1468	0.2474
Schistosoma mansoni	hypothetical protein	0.0116	0.1468	0.2474
Echinococcus granulosus	histone lysine methyltransferase setb	0.0029	0.0018	0.003
Toxoplasma gondii	glycosyl hydrolase, family 31 protein	0.0041	0.0215	0.164
Trypanosoma brucei	mitochondrial DNA polymerase beta-PAK	0.0297	0.4487	0.4422
Trichomonas vaginalis	sucrase-isomaltase, putative	0.0041	0.0215	0.0229
Trypanosoma brucei	DNA polymerase beta thumb, putative	0.0088	0.1006	0.0899
Leishmania major	mitochondrial DNA polymerase beta-PAK, putative	0.0297	0.4487	0.4422
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0417	0.2752
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0184	0.2602	0.441
Toxoplasma gondii	histone lysine acetyltransferase GCN5-B	0.0047	0.0318	0.2494
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0196	0.2809	0.4764
Brugia malayi	beta-lactamase family protein	0.0035	0.0117	0.017
Plasmodium falciparum	ataxin-2 like protein, putative	0.0053	0.0417	0.2752
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0117	0.017
Trypanosoma cruzi	apurinic/apyrimidinic endonuclease	0.0079	0.0847	0.0739
Brugia malayi	RNA binding protein	0.0196	0.2809	0.4764
Onchocerca volvulus		0.0035	0.0117	0.0297
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2726	0.6093
Echinococcus multilocularis	solute carrier family 5	0.0042	0.0234	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0251	0.3711	0.6304
Trichomonas vaginalis	glucosylceramidase, putative	0.0292	0.4399	1
Echinococcus granulosus	sodium coupled monocarboxylate transporter 1	0.0042	0.0234	0.0398
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0215	0.0229
Loa Loa (eye worm)	hypothetical protein	0.0366	0.5644	0.9603
Schistosoma mansoni	gcn5proteinral control of amino-acid synthesis 5-like 2 gcnl2	0.016	0.22	0.3724
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0184	0.2602	0.441
Brugia malayi	TAR-binding protein	0.0196	0.2809	0.4764
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0184	0.2602	0.4427
Plasmodium vivax	ataxin-2 like protein, putative	0.0053	0.0417	0.4806
Mycobacterium tuberculosis	Conserved hypothetical protein	0.0331	0.5047	1
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0117	0.5
Echinococcus multilocularis	sodium coupled monocarboxylate transporter 1	0.0042	0.0234	0.0369
Wolbachia endosymbiont of Brugia malayi	exonuclease III	0.0079	0.0847	0.5
Echinococcus granulosus	GPCR family 2	0.0116	0.1468	0.2497
Loa Loa (eye worm)	O-glycosyl hydrolase family 30 protein	0.0292	0.4399	0.7477
Schistosoma mansoni	ap endonuclease	0.0079	0.0847	0.1416
Loa Loa (eye worm)	TAR-binding protein	0.0196	0.2809	0.4764
Brugia malayi	GH02984p	0.038	0.5877	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0366	0.5644	0.9603
Echinococcus multilocularis	GPCR, family 2	0.0116	0.1468	0.2474
Loa Loa (eye worm)	hypothetical protein	0.0096	0.113	0.1898
Echinococcus multilocularis	lysosomal alpha glucosidase	0.0184	0.2603	0.4412
Schistosoma mansoni	tar DNA-binding protein	0.0196	0.2809	0.4764
Schistosoma mansoni	hypothetical protein	0.0116	0.1468	0.2474
Schistosoma mansoni	alpha-glucosidase	0.0158	0.2176	0.3683
Schistosoma mansoni	eyes absent homolog	0.0096	0.113	0.1898
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.2602	0.441
Schistosoma mansoni	tar DNA-binding protein	0.0196	0.2809	0.4764
Toxoplasma gondii	ABC1 family protein	0.0035	0.0117	0.0827
Plasmodium vivax	histone acetyltransferase GCN5, putative	0.0047	0.0318	0.3621
Trichomonas vaginalis	alpha-glucosidase, putative	0.0041	0.0215	0.0229
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0117	0.017
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2726	0.6093
Echinococcus granulosus	high affinity choline transporter 1	0.038	0.5877	1
Onchocerca volvulus		0.0106	0.1309	0.3852
Onchocerca volvulus		0.023	0.3371	1
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0078	0.0841	0.1405
Toxoplasma gondii	transporter, solute:sodium symporter (SSS) family protein	0.0042	0.0234	0.1794
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0234	0.0369
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0184	0.2603	0.4412
Echinococcus multilocularis	neutral alpha glucosidase AB	0.0041	0.0215	0.0337
Loa Loa (eye worm)	hypothetical protein	0.0116	0.1468	0.2474
Plasmodium falciparum	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0079	0.0847	1
Echinococcus granulosus	sodium:glucose cotransporter	0.0042	0.0234	0.0398
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0047	0.0318	0.0541
Trypanosoma cruzi	PAB1-binding protein , putative	0.0053	0.0417	0.0303
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0088	0.1006	0.0899
Echinococcus granulosus	histone acetyltransferase KAT2B	0.0155	0.2125	0.3616
Loa Loa (eye worm)	glycosyl hydrolase family 31 protein	0.0041	0.0215	0.0337
Mycobacterium ulcerans	exodeoxyribonuclease III protein XthA	0.0079	0.0847	0.1481
Plasmodium vivax	AP endonuclease (DNA-[apurinic or apyrimidinic site] lyase), putative	0.0079	0.0847	1
Trichomonas vaginalis	glucosylceramidase, putative	0.0191	0.2726	0.6093
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0117	0.5
Trypanosoma cruzi	hypothetical protein, conserved	0.0041	0.0215	0.0099
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0184	0.2602	0.441
Echinococcus multilocularis	sodium:glucose cotransporter 2	0.0042	0.0234	0.0369
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0116	0.1468	0.2474
Trypanosoma cruzi	DNA polymerase beta thumb, putative	0.0088	0.1006	0.0899
Brugia malayi	hypothetical protein	0.0096	0.113	0.1898
Brugia malayi	Pre-SET motif family protein	0.0202	0.2905	0.4928
Toxoplasma gondii	LsmAD domain-containing protein	0.0053	0.0417	0.331
Brugia malayi	RNA recognition motif domain containing protein	0.0196	0.2809	0.4764
Schistosoma mansoni	hypothetical protein	0.0078	0.0841	0.1405
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0116	0.1468	0.2497

Activities

No activities found for this compound.

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.

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External resources for this compound

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Bibliographic References

No literature references available for this target.

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Detailed information for compound 725652