TDR Targets

Basic information

Technical information

TDR Targets ID: 1412628
Name: (4-benzylpiperazin-1-yl)-[1-(4-methylphenyl)s ulfonylpiperidin-2-yl]methanone hydrochloride
MW: 478.047 | Formula: C24H32ClN3O3S
H donors: 0 H acceptors: 3 LogP: 3.95 Rotable bonds: 6
Rule of 5 violations (Lipinski): 1
SMILES: Cc1ccc(cc1)S(=O)(=O)N1CCCCC1C(=O)N1CCN(CC1)Cc1ccccc1.Cl
InChi: 1S/C24H31N3O3S.ClH/c1-20-10-12-22(13-11-20)31(29,30)27-14-6-5-9-23(27)24(28)26-17-15-25(16-18-26)19-21-7-3-2-4-8-21;/h2-4,7-8,10-13,23H,5-6,9,14-19H2,1H3;1H
InChiKey: WGYQTZIFVHZFSD-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-benzylpiperazin-1-yl)-[1-(p-tolylsulfonyl)-2-piperidyl]methanone hydrochloride
(4-benzyl-1-piperazinyl)-[1-(p-tolylsulfonyl)-2-piperidinyl]methanone hydrochloride
(4-benzylpiperazin-1-yl)-(1-tosyl-2-piperidyl)methanone hydrochloride
[1-(4-methylphenyl)sulfonylpiperidin-2-yl]-[4-(phenylmethyl)piperazin-1-yl]methanone hydrochloride
MLS000053890
SMR000064225

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	RAB9A, member RAS oncogene family	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 2	Starlite/ChEMBL	No references
Homo sapiens	lamin A/C	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	glycoprotein hormones, alpha polypeptide	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma mansoni	intermediate filament proteins	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Lamin-C, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	ko:K07611 lamin, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	Intermediate filament tail domain containing protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	Intermediate filament protein ifa-1, putative	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma japonicum	expressed protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	lamin dm0	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	musashi	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus multilocularis	cytoplasmic intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Brugia malayi	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Loa Loa (eye worm)	intermediate filament protein	Get druggable targets OG5_128723	All targets in OG5_128723
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_128723	All targets in OG5_128723
Schistosoma mansoni	lamin	Get druggable targets OG5_128723	All targets in OG5_128723

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	ras-related protein Rab-5B	RAB9A, member RAS oncogene family	201 aa	165 aa	30.9 %
Toxoplasma gondii	intraflagellar transport protein 172, putative	glycoprotein hormones, alpha polypeptide	116 aa	94 aa	26.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Loa Loa (eye worm)	hypothetical protein	0.0293	0.1917	0.1917
Loa Loa (eye worm)	blistered cuticle protein 3	0.0026	0.0038	0.0038
Toxoplasma gondii	peptidase family M13 protein	0.0387	0.2581	1
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0052	0.0052
Echinococcus multilocularis	endothelin converting enzyme 1	0.0387	0.2581	0.2581
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.5722	0.5722
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0094	0.0519	0.0519
Echinococcus granulosus	geminin	0.0363	0.2411	0.2411
Loa Loa (eye worm)	angiotensin-converting enzyme family protein	0.0688	0.4698	0.4698
Schistosoma mansoni	Tata binding protein associated factor (M01 family)	0.0098	0.0548	0.0548
Schistosoma mansoni	chromobox protein	0.0082	0.043	0.043
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0548	0.0548
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0109	0.0109
Loa Loa (eye worm)	intermediate filament protein	0.0033	0.0084	0.0084
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0141	0.0848	0.0848
Trypanosoma brucei	Aminopeptidase M1, putative	0.0141	0.0848	1
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0202	0.108
Schistosoma mansoni	hypothetical protein	0.0101	0.0566	0.0566
Echinococcus multilocularis	GPCR, family 2	0.0034	0.0093	0.0093
Brugia malayi	Importin beta-1 subunit	0.0028	0.0052	0.0068
Loa Loa (eye worm)	hypothetical protein	0.0293	0.1917	0.1917
Plasmodium falciparum	M1-family alanyl aminopeptidase, putative	0.0098	0.0548	1
Schistosoma mansoni	hypothetical protein	0.0101	0.0566	0.0566
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0049	0.0203	0.0203
Loa Loa (eye worm)	heterochromatin protein 1	0.0082	0.043	0.043
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0141	0.0848	0.0848
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0286	0.1869	0.1869
Echinococcus multilocularis	lamin dm0	0.0033	0.0084	0.0084
Schistosoma mansoni	peroxidasin	0.0026	0.0038	0.0038
Brugia malayi	Peptidase family M1 containing protein	0.0098	0.0548	0.0722
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0548	0.0548
Plasmodium falciparum	importin beta, putative	0.0028	0.0052	0.0949
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Schistosoma mansoni	aminopeptidase A (M01 family)	0.0098	0.0548	0.0548
Loa Loa (eye worm)	hypothetical protein	0.0387	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0032	0.008	0.008
Loa Loa (eye worm)	hypothetical protein	0.0073	0.0369	0.0369
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.5722	0.5722
Loa Loa (eye worm)	hypothetical protein	0.02	0.1265	0.1265
Giardia lamblia	PHD finger protein 15	0.0034	0.0096	1
Onchocerca volvulus		0.0098	0.0548	0.0675
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0195	0.123	0.123
Schistosoma mansoni	jumonji domain containing protein	0.0089	0.0481	0.0481
Echinococcus granulosus	snurportin 1	0.0299	0.1958	0.1958
Trichomonas vaginalis	chromobox protein, putative	0.0082	0.043	0.23
Echinococcus granulosus	aminopeptidase N	0.0299	0.1958	0.1958
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0038	0.005
Schistosoma mansoni	Nep2 peptidase (M13 family)	0.0195	0.123	0.123
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0195	0.123	0.123
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0109	0.0109
Brugia malayi	latrophilin 2 splice variant baaae	0.0073	0.0369	0.0486
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0094	0.0519	0.0519
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0034	0.0093	0.0093
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0098	0.0548	1
Onchocerca volvulus		0.0299	0.1958	0.2541
Trypanosoma cruzi	aminopeptidase, putative	0.0141	0.0848	1
Brugia malayi	TATA binding protein associated factor	0.0098	0.0548	0.0722
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0034	0.0093	0.0093
Plasmodium falciparum	M1-family alanyl aminopeptidase	0.0098	0.0548	1
Echinococcus granulosus	lamin	0.0033	0.0084	0.0084
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0109	0.0109
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0034	0.0096	0.0096
Echinococcus multilocularis	peregrin	0.0034	0.0096	0.0096
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0141	0.0848	0.0848
Brugia malayi	Heterochromatin protein 1	0.0082	0.043	0.0566
Mycobacterium leprae	probable zinc metalloprotease	0.0387	0.2581	0.5
Echinococcus granulosus	peregrin	0.0034	0.0096	0.0096
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0034	0.0096	0.0096
Loa Loa (eye worm)	peptidase family M13 containing protein	0.0286	0.1869	0.1869
Entamoeba histolytica	aminopeptidase, putative	0.0141	0.0848	1
Echinococcus multilocularis	aminopeptidase N	0.0299	0.1958	0.1958
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.5722	0.5722
Echinococcus multilocularis	chromobox protein 1	0.0082	0.043	0.043
Toxoplasma gondii	aminopeptidase n, putative	0.0098	0.0548	0.2124
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0038	0.005
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0107	0.0607	0.0799
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0177	0.0949
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0052	0.0052
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0141	0.0848	0.4538
Echinococcus multilocularis	snurportin 1	0.0299	0.1958	0.1958
Schistosoma mansoni	family M1 non-peptidase homologue (M01 family)	0.0043	0.0155	0.0155
Brugia malayi	Peroxidasin	0.0026	0.0038	0.005
Brugia malayi	Peptidase family M1 containing protein	0.0141	0.0848	0.1117
Echinococcus multilocularis	chromobox protein 1	0.0082	0.043	0.043
Brugia malayi	jmjC domain containing protein	0.0112	0.0643	0.0847
Loa Loa (eye worm)	hypothetical protein	0.0286	0.1869	0.1869
Brugia malayi	peptidase family M13 containing protein	0.0094	0.0519	0.0683
Echinococcus granulosus	jumonji domain containing protein	0.0048	0.019	0.019
Loa Loa (eye worm)	leukotriene A4 hydrolase	0.1441	1	1
Plasmodium vivax	M1-family alanyl aminopeptidase, putative	0.0098	0.0548	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0052	0.0613
Loa Loa (eye worm)	hypothetical protein	0.0107	0.0607	0.0607
Onchocerca volvulus		0.0033	0.0084	0.0061
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0109	0.0109
Schistosoma mansoni	importin beta-1	0.0028	0.0052	0.0052
Schistosoma mansoni	hypothetical protein	0.0363	0.2411	0.2411
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0141	0.0848	0.0848
Schistosoma mansoni	hypothetical protein	0.0034	0.0093	0.0093
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.1869	1
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.1624	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0141	0.0848	0.0848
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0098	0.0548	0.6462
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0109	0.0109
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0052	0.0202
Loa Loa (eye worm)	animal heme peroxidase	0.0026	0.0038	0.0038
Loa Loa (eye worm)	PHD-finger family protein	0.0034	0.0096	0.0096
Leishmania major	aminopeptidase, putative,metallo-peptidase, Clan MA(E), Family M1	0.0141	0.0848	1
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0101	0.0566	0.0566
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0033	0.0084	0.0084
Echinococcus multilocularis	musashi	0.0033	0.0084	0.0084
Mycobacterium ulcerans	aminopeptidase N PepN	0.0141	0.0848	0.1477
Brugia malayi	hypothetical protein	0.0098	0.0548	0.0722
Echinococcus multilocularis	jumonji domain containing protein	0.0048	0.019	0.019
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0112	0.0643	0.0643
Toxoplasma gondii	aminopeptidase N protein	0.0098	0.0548	0.2124
Onchocerca volvulus	Phospholipase A2 homolog	0.1099	0.7594	1
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0084	0.0084
Leishmania major	puromycin-sensitive aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0098	0.0548	0.6462
Schistosoma mansoni	hypothetical protein	0.0034	0.0096	0.0096
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0098	0.0548	0.6462
Loa Loa (eye worm)	animal heme peroxidase	0.0026	0.0038	0.0038
Trypanosoma brucei	metallo-peptidase, Clan MA(E) Family M1	0.0141	0.0848	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Brugia malayi	intermediate filament protein	0.0033	0.0084	0.0111
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0038	0.005
Brugia malayi	Pre-SET motif family protein	0.0251	0.1624	0.2139
Schistosoma mansoni	hypothetical protein	0.0073	0.0369	0.0369
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0099	0.0099
Schistosoma mansoni	neprilysin-2 (M13 family)	0.0195	0.123	0.123
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0098	0.0548	0.2932
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0192	0.1205	0.1205
Loa Loa (eye worm)	zinc metallopeptidase 4	0.0094	0.0519	0.0519
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0038	0.005
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0094	0.0519	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Schistosoma mansoni	hypothetical protein	0.0101	0.0566	0.0566
Loa Loa (eye worm)	hypothetical protein	0.0293	0.1917	0.1917
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0015	0.0079
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.0352	0.0352
Loa Loa (eye worm)	hypothetical protein	0.0286	0.1869	0.1869
Schistosoma mansoni	hypothetical protein	0.0101	0.0566	0.0566
Echinococcus multilocularis	leukotriene A 4 hydrolase	0.1441	1	1
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Brugia malayi	RNA, U transporter 1	0.008	0.0415	0.0547
Echinococcus multilocularis	peroxidasin	0.0026	0.0038	0.0038
Echinococcus granulosus	chromobox protein 1	0.0082	0.043	0.043
Onchocerca volvulus		0.0033	0.0084	0.0061
Schistosoma mansoni	hypothetical protein	0.0034	0.0093	0.0093
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0043	0.0155	0.0155
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0052	0.0949
Brugia malayi	hypothetical protein	0.0141	0.0848	0.1117
Trichomonas vaginalis	chromobox protein, putative	0.0082	0.043	0.23
Trichomonas vaginalis	Clan MA, family M1, aminopeptidase N-like metallopeptidase	0.0141	0.0848	0.4538
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Schistosoma mansoni	hypothetical protein	0.0101	0.0566	0.0566
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0107	0.0607	0.0799
Onchocerca volvulus		0.0141	0.0848	0.1072
Echinococcus granulosus	lysine specific demethylase 5A	0.0041	0.0146	0.0146
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0098	0.0548	0.6462
Echinococcus multilocularis	puromycin sensitive aminopeptidase	0.0141	0.0848	0.0848
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0096	0.0096
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0098	0.0548	0.0548
Echinococcus multilocularis	Peptidase M1, membrane alanine aminopeptidase, N terminal	0.0141	0.0848	0.0848
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0015	0.0079
Brugia malayi	Phospholipase A2 family protein	0.1099	0.7594	1
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0096	0.037
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0109	0.0422
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0034	0.0093	0.0093
Brugia malayi	PHD-finger family protein	0.0034	0.0096	0.0126
Trypanosoma cruzi	Aminopeptidase M1, putative	0.0141	0.0848	1
Trypanosoma brucei	aminopeptidase, putative	0.0098	0.0548	0.6462
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0093	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Loa Loa (eye worm)	hypothetical protein	0.0387	0.2581	0.2581
Echinococcus granulosus	chromobox protein 1	0.0082	0.043	0.043
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0195	0.123	0.123
Brugia malayi	jmjC domain containing protein	0.0041	0.0146	0.0193
Loa Loa (eye worm)	hypothetical protein	0.0046	0.0177	0.0177
Schistosoma mansoni	hypothetical protein	0.0299	0.1958	0.1958
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Echinococcus granulosus	tm gpcr rhodopsin	0.0812	0.5571	0.5571
Mycobacterium ulcerans	zinc metalloprotease	0.0387	0.2581	1
Trypanosoma brucei	Aminopeptidase M1, putative	0.0141	0.0848	1
Plasmodium vivax	SET domain protein, putative	0.0036	0.0109	0.1985
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0267	0.0267
Onchocerca volvulus		0.0286	0.1869	0.2423
Brugia malayi	chromobox protein homolog 3	0.0046	0.0177	0.0233
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0034	0.0093	0.0093
Leishmania major	aminopeptidase-like protein,metallo-peptidase, Clan MA(E), Family M1	0.0141	0.0848	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0034	0.0093	0.0093
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0083	0.0445
Brugia malayi	Peptidase family M13 containing protein	0.0387	0.2581	0.3398
Echinococcus granulosus	peroxidasin	0.0026	0.0038	0.0038
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0015	0.0174
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0109	0.0109
Brugia malayi	Peptidase family M1 containing protein	0.0299	0.1958	0.2578
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0049	0.0202	0.0217
Loa Loa (eye worm)	hypothetical protein	0.0286	0.1869	0.1869
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0043	0.0155	0.1829
Brugia malayi	Bromodomain containing protein	0.0034	0.0096	0.0126
Echinococcus granulosus	lamin dm0	0.0033	0.0084	0.0084
Brugia malayi	hypothetical protein	0.0026	0.0038	0.005
Trypanosoma cruzi	metallo-peptidase, clan MA(E), family M1, putative	0.0141	0.0848	1
Loa Loa (eye worm)	hypothetical protein	0.0293	0.1917	0.1917
Loa Loa (eye worm)	peptidase family M1 containing protein	0.0256	0.1658	0.1658
Schistosoma mansoni	family M13 unassigned peptidase (M13 family)	0.0387	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0387	0.2581	0.2581
Loa Loa (eye worm)	hypothetical protein	0.0043	0.0155	0.0155
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0108	0.0108
Loa Loa (eye worm)	hypothetical protein	0.0098	0.0548	0.0548
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0034	0.0093	0.0122
Toxoplasma gondii	aminopeptidase N, putative	0.0098	0.0548	0.2124
Schistosoma mansoni	hypothetical protein	0.0363	0.2411	0.2411
Echinococcus multilocularis	lamin	0.0033	0.0084	0.0084
Trichomonas vaginalis	chromobox protein, putative	0.0049	0.0202	0.108
Loa Loa (eye worm)	hypothetical protein	0.0293	0.1917	0.1917
Schistosoma mansoni	lamin	0.0033	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0052	0.0613
Trypanosoma cruzi	puromycin-sensitive aminopeptidase-like protein, putative	0.0098	0.0548	0.6462
Schistosoma mansoni	peroxidasin	0.0026	0.0038	0.0038
Onchocerca volvulus		0.0192	0.1205	0.1545
Schistosoma mansoni	lamin	0.0033	0.0084	0.0084
Schistosoma mansoni	aminopeptidase PILS (M01 family)	0.0141	0.0848	0.0848
Brugia malayi	Intermediate filament tail domain containing protein	0.0033	0.0084	0.0111
Trichomonas vaginalis	conserved hypothetical protein	0.0032	0.0083	0.0445
Schistosoma mansoni	cytosol alanyl aminopeptidase (M01 family)	0.0141	0.0848	0.0848
Loa Loa (eye worm)	TATA binding protein associated factor	0.0098	0.0548	0.0548
Loa Loa (eye worm)	hypothetical protein	0.1099	0.7594	0.7594
Loa Loa (eye worm)	animal heme peroxidase	0.0026	0.0038	0.0038
Trichomonas vaginalis	conserved hypothetical protein	0.0046	0.0177	0.0949
Loa Loa (eye worm)	animal heme peroxidase	0.0026	0.0038	0.0038
Onchocerca volvulus		0.0036	0.0108	0.0092
Schistosoma mansoni	endothelin-converting enzyme-related	0.0094	0.0519	0.0519
Entamoeba histolytica	hypothetical protein	0.0023	0.0015	0.0174
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Echinococcus granulosus	endothelin converting enzyme 1	0.0387	0.2581	0.2581
Loa Loa (eye worm)	aminopeptidase N	0.0141	0.0848	0.0848
Echinococcus granulosus	GPCR family 2	0.0034	0.0093	0.0093
Echinococcus multilocularis	geminin	0.0363	0.2411	0.2411
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0052	0.0052
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0112	0.0643	0.0643
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0015	0.0079
Brugia malayi	Blistered cuticle protein 3	0.0026	0.0038	0.005
Trypanosoma cruzi	aminopeptidase, putative	0.0098	0.0548	0.6462
Schistosoma mansoni	endothelin-converting enzyme-like 1 (damage-induced neuronal endopeptidase)	0.0094	0.0519	0.0519
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0098	0.0548	0.0548
Toxoplasma gondii	PHD-finger domain-containing protein	0.0034	0.0096	0.037
Brugia malayi	Hypothetical zinc metalloproteinase T16A9.4	0.0387	0.2581	0.3398
Echinococcus granulosus	PHD finger protein rhinoceros	0.0034	0.0096	0.0096
Echinococcus multilocularis	lysine specific demethylase 5A	0.0041	0.0146	0.0146
Plasmodium falciparum	phd finger protein, putative	0.0034	0.0096	0.1744
Echinococcus granulosus	intermediate filament protein	0.0033	0.0084	0.0084
Loa Loa (eye worm)	hypothetical protein	0.0293	0.1917	0.1917
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0046	0.0177	0.0184
Schistosoma mansoni	chromobox protein	0.0082	0.043	0.043
Brugia malayi	Angiotensin-converting enzyme family protein	0.0688	0.4698	0.6186
Brugia malayi	Pre-SET motif family protein	0.0036	0.0109	0.0143
Brugia malayi	Latrophilin receptor protein 2	0.0034	0.0093	0.0122
Schistosoma mansoni	leukotriene A4 hydrolase (M01 family)	0.1441	1	1
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0299	0.1958	0.1958
Brugia malayi	hypothetical protein	0.0652	0.4444	0.5852
Schistosoma mansoni	neprilysin	0.0101	0.0566	0.0566
Onchocerca volvulus	Alhambra homolog	0.0034	0.0096	0.0076
Onchocerca volvulus	Phospholipase A2 homolog	0.1099	0.7594	1
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0015	0.0174
Trypanosoma cruzi	metallo-peptidase, Clan MA(E) Family M1	0.0098	0.0548	0.6462
Schistosoma mansoni	hypothetical protein	0.0034	0.0093	0.0093
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0041	0.0146	0.0146
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0141	0.0848	0.0848
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0038	0.0038
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0141	0.0848	0.0848
Plasmodium vivax	hypothetical protein, conserved	0.0034	0.0096	0.1744
Schistosoma mansoni	hypothetical protein	0.0101	0.0566	0.0566
Mycobacterium tuberculosis	Probable zinc metalloprotease Zmp1	0.0387	0.2581	0.5
Schistosoma mansoni	family M13 non-peptidase homologue (M13 family)	0.0094	0.0519	0.0519
Echinococcus granulosus	puromycin sensitive aminopeptidase	0.0141	0.0848	0.0848
Loa Loa (eye worm)	jmjC domain-containing protein	0.0041	0.0146	0.0146
Loa Loa (eye worm)	hypothetical protein	0.1099	0.7594	0.7594
Loa Loa (eye worm)	hypothetical protein	0.0158	0.0965	0.0965
Schistosoma mansoni	hypothetical protein	0.0034	0.0093	0.0093
Onchocerca volvulus		0.0049	0.0203	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0286	0.1869	0.1869
Echinococcus multilocularis	tm gpcr rhodopsin gpcr rhodopsin superfamily	0.0812	0.5571	0.5571
Brugia malayi	Animal haem peroxidase family protein	0.0026	0.0038	0.005
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0107	0.0607	0.0607
Schistosoma mansoni	intermediate filament proteins	0.0033	0.0084	0.0084

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	= 1.2589 um	PUBCHEM_BIOASSAY: qHTS Assay for Rab9 Promoter Activators. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.0119 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	10.4179 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)	11.2202 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (binding)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Modulators of Lamin A Splicing. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	18.3489 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of binding or entry into cells for Lassa Virus. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID463114, AID540249]	ChEMBL.	No reference
Potency (functional)	18.526 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)	20.5962 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in MCF 10a normal breast cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 22.3872 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors Targeting the Menin-MLL Interaction in MLL Related Leukemias: Competition With Texas Red Labeled MLL-derived Mutant Peptide. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	25.1189 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 79.4328 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Homo sapiens	ChEMBL23
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: CHEMBL1546736

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1412628