TDR Targets

Basic information

Technical information

TDR Targets ID: 900310
Name: 3-methyl-7-(2-methylprop-2-enyl)-8-[4-(phenyl methyl)piperidin-1-yl]purine-2,6-dione
MW: 393.482 | Formula: C22H27N5O2
H donors: 1 H acceptors: 3 LogP: 3.91 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CC(=C)Cn1c(nc2c1c(=O)[nH]c(=O)n2C)N1CCC(CC1)Cc1ccccc1
InChi: 1S/C22H27N5O2/c1-15(2)14-27-18-19(25(3)22(29)24-20(18)28)23-21(27)26-11-9-17(10-12-26)13-16-7-5-4-6-8-16/h4-8,17H,1,9-14H2,2-3H3,(H,24,28,29)
InChiKey: HVEFFQCCBZFNND-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-methyl-7-(2-methylprop-2-enyl)-8-[4-(phenylmethyl)-1-piperidyl]purine-2,6-dione
3-methyl-7-(2-methylprop-2-enyl)-8-[4-(phenylmethyl)-1-piperidinyl]purine-2,6-dione
8-[4-(benzyl)-1-piperidyl]-3-methyl-7-(2-methylprop-2-enyl)xanthine
8-(4-Benzyl-piperidin-1-yl)-3-methyl-7-(2-methyl-allyl)-3,7-dihydro-purine-2,6-dione
MLS000103501
SMR000014472
MLS000076027
ZINC01263850
BAS 07401895

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Mus musculus	DNA-damage inducible transcript 3	Starlite/ChEMBL	No references
Homo sapiens	X-box binding protein 1	Starlite/ChEMBL	No references
Influenza A virus	Nonstructural protein 1	Starlite/ChEMBL	No references
Homo sapiens	multiple endocrine neoplasia I		No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific methyltransferase 2A	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Schistosoma japonicum	ko:K09188 myeloid/lymphoid or mixed-lineage leukemia protein 3, putative	Get druggable targets OG5_130642	All targets in OG5_130642
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_134980	All targets in OG5_134980
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	mixed-lineage leukemia protein mll	Get druggable targets OG5_130642	All targets in OG5_130642
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Neospora caninum	Multidomain chromatinic protein with the following architecture: 3x PHD-bromo-3xPHD-SET domain and associated cysteine cluster a	Get druggable targets OG5_130642	All targets in OG5_130642
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	hypothetical protein	Get druggable targets OG5_133913	All targets in OG5_133913
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac	Get druggable targets OG5_134980	All targets in OG5_134980
Toxoplasma gondii	histone lysine methyltransferase SET1	Get druggable targets OG5_130642	All targets in OG5_130642
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	X box binding protein 1	Get druggable targets OG5_134980	All targets in OG5_134980
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Echinococcus granulosus	X box binding protein 1	Get druggable targets OG5_134980	All targets in OG5_134980
Schistosoma japonicum	Menin, putative	Get druggable targets OG5_133913	All targets in OG5_133913
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	IPR011700,Basic leucine zipper;IPR004827,Basic-leucine zipper (bZIP) transcription factor;IPR008917,Eukaryotic transcription fac	Get druggable targets OG5_134980	All targets in OG5_134980
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	dnaJ subfamily B	Get druggable targets OG5_133913	All targets in OG5_133913

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Mycobacterium tuberculosis	Hypothetical protein	Nonstructural protein 1	230 aa	202 aa	23.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0012	0.1091
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0012	0.0012
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0012	0.0012
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0012	0.1091
Loa Loa (eye worm)	cell death specification protein 2	0.0011	0.001	0.0846
Loa Loa (eye worm)	hypothetical protein	0.0011	0.001	0.0846
Echinococcus multilocularis	protocadherin 11	0.0011	0.001	0.001
Mycobacterium ulcerans	cytochrome P450 126A3 Cyp126A3	0.0007	0	0.5
Echinococcus multilocularis	cyclic AMP responsive element binding protein	0.0011	0.001	0.001
Mycobacterium tuberculosis	Probable cytochrome P450 125 Cyp125	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.1091
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0012	0.1091
Giardia lamblia	Rrm3p helicase	0.4304	1	1
Mycobacterium ulcerans	cytochrome P450 140A5 Cyp140A5	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.1091
Mycobacterium ulcerans	cytochrome P450 191A3 Cyp191A3	0.0007	0	0.5
Mycobacterium tuberculosis	Probable cytochrome P450 143 Cyp143	0.0007	0	0.5
Schistosoma mansoni	cpg binding protein	0.0037	0.0069	0.0069
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.1091
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.0009	0.0009
Echinococcus granulosus	mitogen activated protein kinase 3	0.0054	0.0109	0.0109
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0012	0.0012
Mycobacterium ulcerans	cytochrome P450 142A3 Cyp142A3	0.0007	0	0.5
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0012	0.0012
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0054	0.0109	0.0109
Mycobacterium tuberculosis	Probable cytochrome P450 138 Cyp138	0.0007	0	0.5
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.0009	0.0009
Mycobacterium tuberculosis	Probable cytochrome P450 140 Cyp140	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.1091
Brugia malayi	CXXC zinc finger family protein	0.0035	0.0065	0.5744
Echinococcus multilocularis	dnaJ subfamily B	0.0494	0.1133	0.1133
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0109	0.0107
Mycobacterium leprae	putative cytochrome p450	0.0007	0	0.5
Brugia malayi	MAP kinase sur-1	0.0054	0.0109	0.9718
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0012	0.0012
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0012	0.1091
Loa Loa (eye worm)	cytochrome P450 family protein	0.0044	0.0087	0.7741
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0054	0.0109	0.0109
Schistosoma mansoni	hypothetical protein	0.0348	0.0793	0.0793
Mycobacterium ulcerans	cytochrome P450 51B1 Cyp51B1	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0012	0.1091
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0011	0.001	0.001
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0012	0.0012
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0012	0.1091
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0012	0.0012
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0112	0.0112
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0012	0.1091
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0012	0.0012
Brugia malayi	Cell death specification protein 2	0.0011	0.001	0.0846
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.0112	1
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0012	0.0012
Schistosoma mansoni	hypothetical protein	0.0494	0.1133	0.1133
Mycobacterium ulcerans	cytochrome P450 187A5 Cyp187A5	0.0007	0	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135A1 Cyp135A1	0.0007	0	0.5
Mycobacterium ulcerans	cytochrome p450 150 cyp150	0.0007	0	0.5
Loa Loa (eye worm)	hypothetical protein	0.0011	0.001	0.0846
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.1091
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0012	0.0012
Schistosoma mansoni	coup transcription factor	0.0012	0.0012	0.0012
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0035	0.0065	0.5744
Echinococcus granulosus	X box binding protein 1	0.0348	0.0793	0.0793
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0012	0.1091
Mycobacterium tuberculosis	Probable cytochrome P450 128 Cyp128	0.0007	0	0.5
Schistosoma mansoni	serine/threonine protein kinase	0.0054	0.0109	0.0109
Schistosoma mansoni	cpg binding protein	0.0035	0.0065	0.0065
Mycobacterium tuberculosis	Probable cytochrome P450 132 Cyp132	0.0007	0	0.5
Echinococcus granulosus	mixed lineage leukemia protein mll	0.0009	0.0004	0.0004
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0112	0.0112
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0011	0.001	0.001
Brugia malayi	hypothetical protein	0.0011	0.001	0.0846
Mycobacterium ulcerans	cytochrome P450 123A3 Cyp123A3	0.0007	0	0.5
Onchocerca volvulus		0.0035	0.0065	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.001	0.0846
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0012	0.1091
Schistosoma mansoni	cpg binding protein	0.0037	0.0069	0.0069
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0004	0.0004
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0012	0.0012
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0112	0.0112
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0012	0.05
Mycobacterium tuberculosis	Cytochrome P450 121 Cyp121	0.0007	0	0.5
Mycobacterium ulcerans	cytochrome P450 144A4 Cyp144A4	0.0007	0	0.5
Brugia malayi	ecdysteroid receptor	0.0012	0.0012	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0011	0.001	0.0846
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0012	0.0012
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0054	0.0109	0.0109
Schistosoma mansoni	hypothetical protein	0.0011	0.001	0.001
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0009	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0012	0.1091
Echinococcus granulosus	Basic leucine zipper bZIP transcription factor	0.0011	0.001	0.001
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0012	0.0012
Brugia malayi	steroid hormone receptor	0.0012	0.0012	0.1091
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0012	0.0012
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0109	0.0107
Mycobacterium tuberculosis	Possible cytochrome P450 126 Cyp126	0.0007	0	0.5
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0074	0.0155	0.0155
Echinococcus multilocularis	mixed lineage leukemia protein mll	0.0009	0.0004	0.0004
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0012	0.0012
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0054	0.0109	0.7987
Mycobacterium tuberculosis	Probable cytochrome P450 139 Cyp139	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0012	0.1091
Onchocerca volvulus		0.0012	0.0012	0.05
Mycobacterium ulcerans	cytochrome P450 105Q4 Cyp105Q4	0.0007	0	0.5
Mycobacterium tuberculosis	Cytochrome P450 51 Cyp51 (CYPL1) (P450-L1A1) (sterol 14-alpha demethylase) (lanosterol 14-alpha demethylase) (P450-14DM)	0.0007	0	0.5
Echinococcus multilocularis	ccaat enhancer binding protein delta ccaat enhancer binding protein beta	0.0011	0.001	0.001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0012	0.1091
Entamoeba histolytica	DNA repair and recombination protein, putative	0.4304	1	1
Echinococcus multilocularis	protocadherin 11	0.0011	0.001	0.001
Echinococcus granulosus	dnaJ subfamily B	0.0494	0.1133	0.1133
Echinococcus multilocularis	cpg binding protein	0.0037	0.0069	0.0069
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0012	0.0012
Trypanosoma brucei	DNA repair and recombination helicase protein PIF7	0.4304	1	1
Mycobacterium ulcerans	cytochrome P450 136A2 Cyp136A2	0.0007	0	0.5
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0012	0.0012
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0012	0.0012
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription factor	0.0011	0.001	0.001
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0012	0.1091
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.0112	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0012	0.0012
Mycobacterium tuberculosis	Probable cytochrome P450 144 Cyp144	0.0007	0	0.5
Schistosoma mansoni	transcriptional factor nfil3/e4bp4	0.0011	0.001	0.001
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0012	0.1091
Schistosoma mansoni	thyrotroph embryonic factor related	0.0011	0.001	0.001
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0012	0.1091
Schistosoma mansoni	hypothetical protein	0.4304	1	1
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0054	0.0109	0.0109
Mycobacterium tuberculosis	Probable cytochrome P450 141 Cyp141	0.0007	0	0.5
Brugia malayi	Probable ATP-dependent helicase DHX35	0.0035	0.0064	0.571
Loa Loa (eye worm)	bZIP transcription factor family protein	0.0011	0.001	0.0846
Mycobacterium ulcerans	cytochrome P450 108B4 Cyp108B4	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0012	0.1091
Echinococcus multilocularis	X box binding protein 1	0.0348	0.0793	0.0793
Trichomonas vaginalis	conserved hypothetical protein	0.4304	1	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.0112	0.0112
Mycobacterium ulcerans	cytochrome P450 187A4 Cyp187A4	0.0007	0	0.5
Echinococcus granulosus	transcriptional factor nfil3:e4bp4	0.0011	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0011	0.001	0.0846
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0012	0.0012
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.1091
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	0.0007	0	0.5
Mycobacterium ulcerans	cytochrome P450 188A3 Cyp188A3	0.0007	0	0.5
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0054	0.0109	0.0109
Echinococcus multilocularis	ATP dependent DNA helicase PIF1	0.4304	1	1
Mycobacterium ulcerans	cytochrome P450 143A3 Cyp143A3	0.0007	0	0.5
Mycobacterium tuberculosis	Possible cytochrome P450 135B1 Cyp135B1	0.0007	0	0.5
Loa Loa (eye worm)	DEAH box polypeptide 35	0.0035	0.0064	0.571
Schistosoma mansoni	par domain protein	0.0011	0.001	0.001
Echinococcus granulosus	mitogen activated protein kinase	0.0054	0.0109	0.0109
Mycobacterium ulcerans	cytochrome P450 124A1, Cyp124A1	0.0007	0	0.5
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0109	0.0107
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.4304	1	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0012	0.0012
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0012	0.0012
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0054	0.0109	0.0109
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0012	0.1091
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0012	0.0012
Mycobacterium tuberculosis	Probable cytochrome P450 137 Cyp137	0.0007	0	0.5
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0012	0.1091
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0112	0.0112
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.1091
Mycobacterium ulcerans	cytochrome P450 189A7 Cyp189A7	0.0007	0	0.5
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0012	0.0012
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.0112	0.0112
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0054	0.0109	0.0109
Loa Loa (eye worm)	histone methyltransferase	0.0011	0.0009	0.0786
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0012	0.0012
Brugia malayi	Hepatic leukemia factor	0.0011	0.001	0.0846
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0009	0.0004	0.0004
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0012	0.1091
Mycobacterium tuberculosis	Probable cytochrome P450 123 Cyp123	0.0007	0	0.5
Echinococcus granulosus	protocadherin 11	0.0011	0.001	0.001
Brugia malayi	bZIP transcription factor family protein	0.0011	0.001	0.0846
Mycobacterium tuberculosis	Probable cytochrome P450 124 Cyp124	0.0007	0	0.5
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0012	0.1091
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0012	0.0012
Trypanosoma brucei	protein kinase, putative	0.0054	0.0109	0.0109
Giardia lamblia	Kinase, CMGC MAPK	0.0054	0.0109	0.01
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0012	0.05
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0012	0.1091
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0012	0.1091
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.4304	1	1
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0012	0.05
Mycobacterium leprae	Conserved hypothetical protein	0.0007	0	0.5
Brugia malayi	hypothetical protein	0.0011	0.001	0.0846
Brugia malayi	Cytochrome P450 family protein	0.0044	0.0087	0.7741
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0012	0.1091
Leishmania major	PIF1 helicase-like protein, putative,DNA repair and recombination protein, mitochondrial precursor, putative	0.4304	1	1
Schistosoma mansoni	hypothetical protein	0.0011	0.001	0.001
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0064	0.571
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF6, putative	0.4304	1	1
Trypanosoma cruzi	DNA repair and recombination helicase protein PIF7, putative	0.4304	1	1
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0012	0.1091
Echinococcus granulosus	ccaat enhancer binding protein delta	0.0011	0.001	0.001
Brugia malayi	nuclear hormone receptor	0.0012	0.0012	0.1091
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0012	0.0012
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.2262	0.2262
Mycobacterium tuberculosis	Probable cytochrome P450 130 Cyp130	0.0007	0	0.5
Brugia malayi	Cell death specification protein 2	0.0011	0.001	0.0846
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0012	0.0012
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0012	0.0012
Trichomonas vaginalis	CMGC family protein kinase	0.0054	0.0109	0.0107
Echinococcus multilocularis	mitogen activated protein kinase	0.0054	0.0109	0.0109
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0012	0.1091
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0054	0.0109	0.0109
Brugia malayi	hypothetical protein	0.0011	0.001	0.0846
Mycobacterium tuberculosis	Probable cytochrome P450 monooxygenase 142 Cyp142	0.0007	0	0.5
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.0112	0.0112
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0012	0.0012
Entamoeba histolytica	hypothetical protein, conserved	0.4304	1	1
Echinococcus granulosus	cpg binding protein	0.0037	0.0069	0.0069
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0066	0.0137	1
Loa Loa (eye worm)	hypothetical protein	0.0011	0.001	0.0846
Mycobacterium ulcerans	cytochrome P450 143A4 Cyp143A4	0.0007	0	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0012	0.1091
Echinococcus granulosus	protocadherin 11	0.0011	0.001	0.001
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0054	0.0109	0.9718
Echinococcus multilocularis	transcriptional factor nfil3:e4bp4	0.0011	0.001	0.001
Mycobacterium ulcerans	cytochrome P450 125A7 Cyp125A7	0.0007	0	0.5
Brugia malayi	Cell death specification protein 2	0.0011	0.001	0.0846
Trypanosoma brucei	DNA repair and recombination helicase protein PIF6	0.4304	1	1
Brugia malayi	F/Y-rich N-terminus family protein	0.0011	0.0009	0.0757
Mycobacterium ulcerans	cytochrome P450 150A6 Cyp150A6	0.0007	0	0.5

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (functional)	= 8 uM	PUBCHEM_BIOASSAY: CHOP dose-response primary assay. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217]	ChEMBL.	No reference
IC50 (functional)	> 10 uM	PUBCHEM_BIOASSAY: XBP1 DR counterscreen for CHOP. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2732, AID493217]	ChEMBL.	No reference
Potency (functional)	0.9285 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)	= 5.0119 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)	11.2202 uM	PubChem BioAssay. qHTS for Agonist of gsp, the Etiologic Mutation Responsible for Fibrous Dysplasia/McCune-Albright Syndrome: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 12.5893 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	13.1154 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)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Small Molecule Inhibitors of Mitochondrial Division or Activators of Mitochondrial Fusion. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	15.8489 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)	18.3564 uM	PUBCHEM_BIOASSAY: qHTS screen for small molecules that inhibit ELG1-dependent DNA repair in human embryonic kidney (HEK293T) cells expressing luciferase-tagged ELG1. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493107, AID493125]	ChEMBL.	No reference
Potency (functional)	= 19.9526 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Influenza NS1 Protein Function. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS Assay for Inhibitors of the HIV-1 protein Vpr. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	29.0929 uM	PubChem BioAssay. qHTS for induction of synthetic lethality in tumor cells producing 2HG: qHTS for the HT-1080-NT fibrosarcoma cell line. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of 15-hLO (15-human lipoxygenase). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of BAZ2B. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504391]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Eta. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588636]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Saccharomyces cerevisiae	ChEMBL23
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: CHEMBL1558724
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Bibliographic References

No literature references available for this target.

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Detailed information for compound 900310