TDR Targets

Basic information

Technical information

TDR Targets ID: 736959
Name: 2-[4-[(2-chlorophenyl)methyl]piperazin-1-yl]p yrimidine
MW: 288.775 | Formula: C15H17ClN4
H donors: 0 H acceptors: 2 LogP: 2.59 Rotable bonds: 3
Rule of 5 violations (Lipinski): 1
SMILES: Clc1ccccc1CN1CCN(CC1)c1ncccn1
InChi: 1S/C15H17ClN4/c16-14-5-2-1-4-13(14)12-19-8-10-20(11-9-19)15-17-6-3-7-18-15/h1-7H,8-12H2
InChiKey: DQMBJOGFJSJHGY-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

2-[4-[(2-chlorophenyl)methyl]-1-piperazinyl]pyrimidine
2-[4-(2-chlorobenzyl)piperazin-1-yl]pyrimidine
Oprea1_747867
2-[4-(2-chlorobenzyl)-1-piperazinyl]pyrimidine
MLS001008428
SMR000495962

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4A	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	parathyroid hormone 1 receptor	Starlite/ChEMBL	No references
Trypanosoma brucei	hypothetical protein, conserved	Starlite/ChEMBL	No references
Mus musculus	5-hydroxytryptamine (serotonin) receptor 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania infantum	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Schistosoma mansoni	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Leishmania major	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Loa Loa (eye worm)	jmjC domain-containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	ko:K04588 secretin receptor, putative	Get druggable targets OG5_139196	All targets in OG5_139196
Trypanosoma cruzi	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Trypanosoma brucei	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Schistosoma japonicum	JmjC domain-containing histone demethylation protein 3C, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Plasmodium yoelii	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	Transcription factor JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Trypanosoma cruzi	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Brugia malayi	jmjC domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Leishmania braziliensis	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Trypanosoma brucei gambiense	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Leishmania mexicana	hypothetical protein, conserved	Get druggable targets OG5_146801	All targets in OG5_146801
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Schistosoma japonicum	Probable JmjC domain-containing histone demethylation protein 3B, putative	Get druggable targets OG5_127917	All targets in OG5_127917
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus multilocularis	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917
Candida albicans	one of two closely related potential jumonji-like transcription factor genes similar to S. cerevisiae RPH1 (YER169W) damage-resp	Get druggable targets OG5_127917	All targets in OG5_127917
Leishmania donovani	HpcH/HpaI aldolase/citrate lyase family, putative	Get druggable targets OG5_146801	All targets in OG5_146801
Trypanosoma congolense	HpcH/HpaI aldolase/citrate lyase family, putative	Get druggable targets OG5_146801	All targets in OG5_146801
Schistosoma japonicum	expressed protein	Get druggable targets OG5_127917	All targets in OG5_127917
Echinococcus granulosus	jumonji domain containing protein	Get druggable targets OG5_127917	All targets in OG5_127917

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Loa Loa (eye worm)	pigment dispersing factor receptor c	glucagon-like peptide 1 receptor	463 aa	388 aa	25.8 %
Brugia malayi	Hypothetical 65.5 kDa Trp-Asp repeats containing protein F02E8.5 inchromosome X	geminin, DNA replication inhibitor	209 aa	176 aa	27.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0037	0.02	0.0421
Onchocerca volvulus		0.0074	0.0666	0.2422
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0001	0.0002
Echinococcus multilocularis	GPCR, family 2	0.0135	0.143	0.143
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0135	0.143	0.3012
Schistosoma mansoni	cellular tumor antigen P53	0.0059	0.0477	0.1232
Trypanosoma brucei	hypothetical protein, conserved	0.0257	0.2943	1
Echinococcus multilocularis	jumonji domain containing protein	0.0049	0.0355	0.0355
Leishmania major	hypothetical protein, conserved	0.0074	0.0666	0.2265
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0076	0.0689	0.1452
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0666	0.1184
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0184	0.1983
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0666	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0021	0.0001	0.0001
Entamoeba histolytica	DNA repair and recombination protein RAD52, putative	0.0278	0.32	1
Brugia malayi	beta-lactamase	0.0074	0.0666	0.1315
Schistosoma mansoni	hypothetical protein	0.0076	0.0689	0.1778
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0115	0.1181	0.2488
Brugia malayi	ecdysteroid receptor	0.0021	0.0001	0.0002
Trypanosoma brucei	hypothetical protein, conserved	0.0074	0.0666	0.2265
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0184	0.0362
Mycobacterium leprae	conserved hypothetical protein	0.0074	0.0666	0.5
Schistosoma mansoni	hypothetical protein	0.0135	0.143	0.3689
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0021	0.0001	0.0002
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0037	0.02	0.02
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0001	0.0001
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.3875	1
Mycobacterium ulcerans	lipase LipD	0.0074	0.0666	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0074	0.0666	1
Echinococcus granulosus	citrate lyase subunit beta protein	0.003	0.0114	0.0239
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0428	0.5068	1
Echinococcus granulosus	PHD finger protein rhinoceros	0.0035	0.0184	0.0387
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0021	0.0001	0.0002
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0021	0.0001	0.0003
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0035	0.0184	0.0474
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0021	0.0001	0.0003
Brugia malayi	TAR-binding protein	0.0332	0.3875	0.7647
Echinococcus multilocularis	ecdysone induced protein 78C	0.0021	0.0001	0.0001
Trichomonas vaginalis	esterase, putative	0.0074	0.0666	1
Schistosoma mansoni	retinoic acid receptor RXR	0.0021	0.0001	0.0003
Schistosoma mansoni	hypothetical protein	0.0205	0.2292	0.5915
Schistosoma mansoni	hypothetical protein	0.0292	0.3384	0.8732
Echinococcus granulosus	jumonji domain containing protein	0.0049	0.0355	0.0748
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0074	0.0666	0.0666
Leishmania major	hypothetical protein, conserved	0.0026	0.0064	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0241	0.2748	0.5423
Echinococcus multilocularis	geminin	0.0205	0.2292	0.2292
Toxoplasma gondii	PHD-finger domain-containing protein	0.0035	0.0184	0.1983
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0021	0.0001	0.0001
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.3875	1
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0666	0.2265
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0276	0.0712
Mycobacterium ulcerans	hypothetical protein	0.003	0.0114	0.1705
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0002
Loa Loa (eye worm)	MH2 domain-containing protein	0.0095	0.0932	0.1838
Entamoeba histolytica	hypothetical protein	0.0076	0.0689	0.2154
Echinococcus multilocularis	peregrin	0.0035	0.0184	0.0184
Brugia malayi	Latrophilin receptor protein 2	0.0135	0.143	0.2821
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0135	0.143	0.143
Echinococcus multilocularis	FTZ F1 alpha	0.0021	0.0001	0.0001
Mycobacterium tuberculosis	Conserved protein	0.003	0.0114	0.0202
Schistosoma mansoni	transcription factor LCR-F1	0.0076	0.0689	0.1778
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0021	0.0001	0.0002
Brugia malayi	RNA recognition motif domain containing protein	0.0332	0.3875	0.7647
Toxoplasma gondii	ABC1 family protein	0.0074	0.0666	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0021	0.0001	0.0003
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0115	0.1181	0.1181
Mycobacterium tuberculosis	Probable lipase LipD	0.0074	0.0666	0.1184
Mycobacterium tuberculosis	Probable esterase LipL	0.0074	0.0666	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0064	0.0127
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0037	0.02	0.0516
Schistosoma mansoni	RAR-like nuclear receptor	0.0021	0.0001	0.0003
Brugia malayi	hypothetical protein	0.0241	0.2748	0.5423
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.003	0.0114	0.1705
Brugia malayi	Bromodomain containing protein	0.0035	0.0184	0.0362
Mycobacterium tuberculosis	Probable lipase LipE	0.0074	0.0666	0.1184
Loa Loa (eye worm)	RNA binding protein	0.0332	0.3875	0.7647
Onchocerca volvulus		0.0059	0.0477	0.1734
Brugia malayi	Nuclear hormone receptor-like 1	0.0021	0.0001	0.0002
Mycobacterium ulcerans	citrate lyase beta subunit, CitE_2	0.003	0.0114	0.1705
Echinococcus granulosus	beta LACTamase domain containing family member	0.0074	0.0666	0.1404
Brugia malayi	photoreceptor-specific nuclear receptor	0.026	0.2986	0.5892
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.2943	1
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0001	0.0002
Schistosoma mansoni	hypothetical protein	0.0135	0.143	0.3689
Echinococcus multilocularis	lysine specific demethylase 5A	0.0043	0.0276	0.0276
Schistosoma mansoni	hypothetical protein	0.0135	0.143	0.3689
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0666	1
Echinococcus granulosus	tumor protein p63	0.0402	0.4746	1
Loa Loa (eye worm)	hypothetical protein	0.026	0.2986	0.5892
Entamoeba histolytica	hypothetical protein	0.0076	0.0689	0.2154
Mycobacterium leprae	Probable lipase LipE	0.0074	0.0666	0.5
Echinococcus multilocularis	tumor protein p63	0.0402	0.4746	0.4746
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0002
Loa Loa (eye worm)	PHD-finger family protein	0.0035	0.0184	0.0362
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0021	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0666	0.1315
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0114	0.0386
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0074	0.0666	0.1315
Echinococcus granulosus	GPCR family 2	0.0135	0.143	0.3012
Loa Loa (eye worm)	beta-lactamase	0.0074	0.0666	0.1315
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0037	0.02	0.0421
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0074	0.0666	0.1184
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0037	0.02	0.0516
Mycobacterium tuberculosis	Probable citrate (pro-3S)-lyase (beta subunit) CitE (citrase) (citratase) (citritase) (citridesmolase) (citrase aldolase)	0.003	0.0114	0.0202
Loa Loa (eye worm)	hypothetical protein	0.0059	0.0477	0.0942
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0135	0.143	0.2821
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0135	0.143	0.2821
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0021	0.0001	0.0001
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0021	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0021	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0666	0.1315
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0428	0.5068	1
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0064	0.0218
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0021	0.0001	0.0002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0021	0.0001	0.0002
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0074	0.0666	0.1184
Brugia malayi	nuclear hormone receptor	0.0021	0.0001	0.0002
Trypanosoma cruzi	PAB1-binding protein , putative	0.0026	0.0064	0.0218
Echinococcus multilocularis	tar DNA binding protein	0.0332	0.3875	0.3875
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0002
Onchocerca volvulus		0.0074	0.0666	0.2422
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0135	0.143	0.3012
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0021	0.0001	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0021	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.006	0.0497	0.098
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0135	0.143	0.143
Brugia malayi	beta-lactamase family protein	0.0074	0.0666	0.1315
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0021	0.0001	0.0003
Giardia lamblia	PHD finger protein 15	0.0035	0.0184	0.0574
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0037	0.02	0.0394
Mycobacterium ulcerans	hypothetical protein	0.0074	0.0666	1
Mycobacterium ulcerans	citrate (pro-3S)-lyase subunit beta	0.003	0.0114	0.1705
Schistosoma mansoni	hypothetical protein	0.0205	0.2292	0.5915
Brugia malayi	Steroid receptor seven-up type 2	0.0021	0.0001	0.0002
Entamoeba histolytica	Rad52/22 family double-strand break repair protein, putative	0.0079	0.0728	0.2276
Echinococcus granulosus	ecdysone induced protein 78C	0.0021	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0666	0.1315
Leishmania major	hypothetical protein, conserved	0.0257	0.2943	1
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0184	0.1983
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0021	0.0001	0.0003
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0021	0.0001	0.0002
Echinococcus granulosus	peregrin	0.0035	0.0184	0.0387
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0037	0.02	0.0516
Schistosoma mansoni	jumonji domain containing protein	0.0092	0.0886	0.2285
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0074	0.0666	1
Trypanosoma cruzi	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0114	0.0386
Echinococcus granulosus	tar DNA binding protein	0.0332	0.3875	0.8166
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0021	0.0001	0.0001
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0001	0.0002
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0021	0.0001	0.0001
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0666	0.1184
Mycobacterium ulcerans	beta-lactamase	0.0074	0.0666	1
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0074	0.0666	0.1184
Mycobacterium tuberculosis	Probable hydrolase	0.0074	0.0666	0.1184
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0666	0.1315
Mycobacterium tuberculosis	Conserved protein	0.0074	0.0666	0.1184
Brugia malayi	hypothetical protein	0.0076	0.0689	0.136
Onchocerca volvulus		0.0241	0.2748	1
Brugia malayi	jmjC domain containing protein	0.0043	0.0276	0.0544
Schistosoma mansoni	coup transcription factor	0.0021	0.0001	0.0003
Leishmania major	2,4-dihydroxyhept-2-ene-1,7-dioic acid aldolase, putative	0.003	0.0114	0.0386
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0076	0.0689	0.0689
Loa Loa (eye worm)	hypothetical protein	0.0135	0.143	0.2821
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0021	0.0001	0.0002
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0001	0.0003
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.3875	1
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.3875	1
Schistosoma mansoni	thyroid hormone receptor	0.0021	0.0001	0.0003
Entamoeba histolytica	hypothetical protein	0.0076	0.0689	0.2154
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0021	0.0001	0.0002
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0021	0.0001	0.0002
Brugia malayi	PHD-finger family protein	0.0035	0.0184	0.0362
Trichomonas vaginalis	Citrate lyase beta chain, putative	0.003	0.0114	0.1705
Brugia malayi	MH2 domain containing protein	0.0095	0.0932	0.1838
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0021	0.0001	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0021	0.0001	0.0002
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0001	0.0002
Schistosoma mansoni	hypothetical protein	0.0035	0.0184	0.0474
Schistosoma mansoni	hypothetical protein	0.0135	0.143	0.3689
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0021	0.0001	0.0003
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0021	0.0001	0.0003
Brugia malayi	beta-lactamase family protein	0.0074	0.0666	0.1315
Schistosoma mansoni	tar DNA-binding protein	0.0332	0.3875	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0021	0.0001	0.0002
Trypanosoma cruzi	hypothetical protein, conserved	0.0257	0.2943	1
Giardia lamblia	DNA repair protein RAD52	0.0278	0.32	1
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0428	0.5068	1
Entamoeba histolytica	hypothetical protein	0.0079	0.0728	0.2276
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0666	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0666	0.172
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0021	0.0001	0.0001
Onchocerca volvulus	Alhambra homolog	0.0035	0.0184	0.0665
Mycobacterium ulcerans	esterase/lipase LipP	0.0074	0.0666	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0292	0.3384	0.6677
Trypanosoma brucei	PAB1-binding protein , putative	0.0026	0.0064	0.0218
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0037	0.02	0.0394
Brugia malayi	steroid hormone receptor	0.0021	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0292	0.3384	0.6677
Loa Loa (eye worm)	steroid hormone receptor	0.0021	0.0001	0.0002
Plasmodium vivax	hypothetical protein, conserved	0.0074	0.0666	1
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0021	0.0001	0.0002
Plasmodium falciparum	phd finger protein, putative	0.0035	0.0184	1
Onchocerca volvulus		0.0074	0.0666	0.2422
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0021	0.0001	0.0002
Schistosoma mansoni	nuclear hormone receptor	0.0021	0.0001	0.0003
Echinococcus multilocularis	citrate lyase subunit beta protein	0.003	0.0114	0.0114
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0666	0.1315
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0074	0.0666	0.172
Brugia malayi	nuclear receptor NHR-88	0.0021	0.0001	0.0002
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0473	0.563	1
Brugia malayi	hypothetical protein	0.0026	0.0064	0.0127
Echinococcus granulosus	lysine specific demethylase 5A	0.0043	0.0276	0.0581
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0021	0.0001	0.0002
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0037	0.02	0.02
Loa Loa (eye worm)	jmjC domain-containing protein	0.0073	0.065	0.1283
Loa Loa (eye worm)	hypothetical protein	0.0428	0.5068	1
Brugia malayi	jmjC domain containing protein	0.0115	0.1181	0.2329
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0021	0.0001	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0074	0.0666	0.1315
Trichomonas vaginalis	D-aminoacylase, putative	0.0074	0.0666	1
Echinococcus granulosus	geminin	0.0205	0.2292	0.483
Brugia malayi	RNA binding protein	0.0332	0.3875	0.7647
Loa Loa (eye worm)	TAR-binding protein	0.0332	0.3875	0.7647
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0021	0.0001	0.0002
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0021	0.0001	0.0002
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0043	0.0276	0.0712
Mycobacterium ulcerans	hypothetical protein	0.003	0.0114	0.1705
Entamoeba histolytica	hypothetical protein	0.0076	0.0689	0.2154
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0074	0.0666	0.1315
Echinococcus granulosus	FTZ F1 alpha	0.0021	0.0001	0.0002
Loa Loa (eye worm)	jmjC domain-containing protein	0.0043	0.0276	0.0544
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0021	0.0001	0.0002
Loa Loa (eye worm)	transcription factor SMAD2	0.0095	0.0932	0.1838
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0035	0.0184	0.0184
Trypanosoma cruzi	hypothetical protein, conserved	0.0074	0.0666	0.2265
Loa Loa (eye worm)	RNA recognition domain-containing protein domain-containing protein	0.0332	0.3875	0.7647

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (functional)	0.40745 uM	PubChem BioAssay. Luminescence-based cell-based high throughput dose response assay for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A). (Class of assay: confirmatory)	ChEMBL.	No reference
EC50 (functional)	92.456 uM	PubChem BioAssay. Counterscreen for agonists of the mouse 5-hydroxytryptamine (serotonin) receptor 2A (HTR2A): Luminescence-based cell-based high throughput dose response assay to identify agonists of the mu 1 opioid receptor (OPRM1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of JMJD2A-Tudor Domain. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504402]	ChEMBL.	No reference
Potency (functional)	= 1.2589 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)	7.3078 uM	PubChem BioAssay. A quantitative high throughput screen for small molecules that induce DNA re-replication in SW480 colon adenocarcinoma cells. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	7.9433 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PubChem BioAssay. qHTS of Trypanosoma Brucei Inhibitors. (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, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	31.6228 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 (functional)	44.6684 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	56.2341 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	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
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: CHEMBL1312518
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 736959