TDR Targets

Basic information

Technical information

TDR Targets ID: 1440182
Name: methyl 3-(6-butylamino-6-oxohexyl)-2,4-dioxo- 1H-quinazoline-7-carboxylate
MW: 389.445 | Formula: C20H27N3O5
H donors: 2 H acceptors: 4 LogP: 2.05 Rotable bonds: 12
Rule of 5 violations (Lipinski): 1
SMILES: CCCCNC(=O)CCCCCn1c(=O)[nH]c2c(c1=O)ccc(c2)C(=O)OC
InChi: 1S/C20H27N3O5/c1-3-4-11-21-17(24)8-6-5-7-12-23-18(25)15-10-9-14(19(26)28-2)13-16(15)22-20(23)27/h9-10,13H,3-8,11-12H2,1-2H3,(H,21,24)(H,22,27)
InChiKey: PUHGRYOMQUIXLB-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

methyl 3-(6-butylamino-6-oxo-hexyl)-2,4-dioxo-1H-quinazoline-7-carboxylate
3-(6-butylamino-6-oxohexyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid methyl ester
3-(6-butylamino-6-keto-hexyl)-2,4-diketo-1H-quinazoline-7-carboxylic acid methyl ester
MLS000660894
SMR000310532
methyl 3-[6-(butylamino)-6-oxohexyl]-2,4-dioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	lysine (K)-specific demethylase 4E	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
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 multilocularis	FTZ F1 nuclear receptor protein	0.0171	0.1929	0.2179
Plasmodium vivax	SET domain protein, putative	0.003	0.0138	1
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0405	1
Brugia malayi	nuclear receptor subfamily 1, group D, member 1, putative	0.0081	0.0783	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1929	0.6392
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0171	0.1929	0.6392
Loa Loa (eye worm)	notch protein	0.0044	0.0315	0.1043
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Echinococcus multilocularis	aldehyde reductase	0.0022	0.0045	0.0051
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Schistosoma mansoni	hypothetical protein	0.0205	0.2357	0.2357
Trypanosoma brucei	mitogen activated protein kinase 4, putative	0.0051	0.0405	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0161	0.0161
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0171	0.1929	0.622
Onchocerca volvulus		0.0237	0.2764	0.9116
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Mycobacterium tuberculosis	Probable oxidoreductase	0.0032	0.0161	0.5
Toxoplasma gondii	CMGC kinase, MAPK family (ERK) MAPK-1	0.0051	0.0405	1
Onchocerca volvulus		0.0032	0.0161	0.008
Brugia malayi	nuclear hormone receptor family member odr-7	0.0081	0.0783	0.2595
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0161	0.0182
Brugia malayi	EGF-like domain containing protein	0.0044	0.0315	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Trypanosoma brucei	protein kinase, putative	0.0051	0.0405	1
Brugia malayi	Pre-SET motif family protein	0.003	0.0138	0.0457
Brugia malayi	EGF-like domain containing protein	0.0044	0.0315	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1929	0.6392
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Echinococcus granulosus	hypothetical protein	0.0032	0.0161	0.0161
Echinococcus granulosus	peroxidasin	0.0257	0.3018	0.3018
Schistosoma mansoni	hepatocyte nuclear factor 4-alpha (hnf-4-alpha)	0.0081	0.0783	0.0783
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0171	0.1929	0.6392
Echinococcus multilocularis	nuclear receptor subfamily 1 group D	0.009	0.0906	0.1023
Onchocerca volvulus		0.0032	0.0161	0.008
Schistosoma mansoni	serine/threonine protein kinase	0.0051	0.0405	0.0405
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0208	0.2398	0.7943
Schistosoma mansoni	notch	0.0044	0.0315	0.0315
Echinococcus granulosus	thyroid hormone receptor alpha	0.0081	0.0783	0.0783
Schistosoma mansoni	hypothetical protein	0.0044	0.0315	0.0315
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0171	0.1929	0.1929
Brugia malayi	Animal haem peroxidase family protein	0.0257	0.3018	1
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.003	0.0138	0.0156
Loa Loa (eye worm)	nuclear receptor NHR-67	0.0081	0.0783	0.2595
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0171	0.1929	0.1929
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0171	0.1929	0.6392
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Echinococcus multilocularis	neural cadherin	0.0044	0.0315	0.0355
Brugia malayi	jmjC domain containing protein	0.0071	0.0661	0.2191
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Onchocerca volvulus		0.0081	0.0783	0.224
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Echinococcus granulosus	aldo keto reductase	0.0032	0.0161	0.0161
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0171	0.1929	0.6392
Brugia malayi	Delta serrate ligand family protein	0.0044	0.0315	0.1043
Giardia lamblia	Kinase, CMGC MAPK	0.0051	0.0405	1
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Brugia malayi	EGF-like domain containing protein	0.0044	0.0315	0.1043
Echinococcus multilocularis	protein jagged 1	0.0044	0.0315	0.0355
Schistosoma mansoni	RAR-like nuclear receptor	0.0171	0.1929	0.1929
Brugia malayi	EGF-like domain containing protein	0.0044	0.0315	0.1043
Schistosoma mansoni	nuclear receptor	0.0081	0.0783	0.0783
Brugia malayi	hypothetical protein	0.0081	0.0783	0.2595
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0171	0.1929	0.6392
Echinococcus multilocularis	neurogenic locus notch protein	0.0044	0.0315	0.0355
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0032	0.0161	0.3973
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Brugia malayi	Nuclear hormone receptor-like 1	0.009	0.0906	0.3001
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.003	0.0138	0.0138
Toxoplasma gondii	EGF family domain-containing protein	0.0044	0.0315	0.7763
Brugia malayi	Muscle positioning protein 4	0.0044	0.0315	0.1043
Schistosoma mansoni	hypothetical protein	0.0205	0.2357	0.2357
Echinococcus granulosus	microtubule associated protein 2	0.0689	0.8507	0.8507
Trypanosoma cruzi	mitogen activated protein kinase 4, putative	0.0051	0.0405	1
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0161	0.0182
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0171	0.1929	0.1929
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Schistosoma mansoni	coup transcription factor	0.0171	0.1929	0.1929
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Echinococcus multilocularis	protein jagged 1	0.0044	0.0315	0.0355
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0171	0.1929	0.6392
Echinococcus multilocularis	ecdysone induced protein 78C	0.0171	0.1929	0.2179
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0161	0.0182
Loa Loa (eye worm)	animal heme peroxidase	0.0257	0.3018	1
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0029	0.0124	0.0124
Echinococcus granulosus	ecdysone induced protein 78C	0.0171	0.1929	0.1929
Entamoeba histolytica	aldose reductase, putative	0.0032	0.0161	0.5
Brugia malayi	nuclear hormone receptor	0.0081	0.0783	0.2595
Brugia malayi	orphan nuclear receptor NR2E1	0.0081	0.0783	0.2595
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0171	0.1929	0.2179
Echinococcus multilocularis	nuclear receptor nhr 48	0.0081	0.0783	0.0885
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.009	0.0906	0.0906
Echinococcus multilocularis	microtubule associated protein 2	0.0689	0.8507	0.9608
Onchocerca volvulus		0.0032	0.0161	0.008
Brugia malayi	nuclear hormone receptor family member nhr-6	0.0081	0.0783	0.2595
Brugia malayi	hypothetical protein	0.0081	0.0783	0.2595
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0081	0.0783	0.0783
Schistosoma mansoni	septate junction protein	0.0044	0.0315	0.0315
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0138	0.0138
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0081	0.0783	0.224
Echinococcus granulosus	protein jagged 2	0.0044	0.0315	0.0315
Brugia malayi	hypothetical protein	0.009	0.0906	0.3001
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0171	0.1929	0.1929
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1929	0.6392
Schistosoma mansoni	cell polarity protein	0.0044	0.0315	0.0315
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0171	0.1929	0.1929
Loa Loa (eye worm)	animal heme peroxidase	0.0257	0.3018	1
Echinococcus granulosus	notch	0.0044	0.0315	0.0315
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0161	0.0534
Onchocerca volvulus	Bile acid receptor homolog	0.0171	0.1929	0.622
Loa Loa (eye worm)	nuclear hormone receptor-like 1	0.009	0.0906	0.3001
Echinococcus granulosus	nuclear receptor subfamily 1 group D	0.009	0.0906	0.0906
Loa Loa (eye worm)	blistered cuticle protein 3	0.0257	0.3018	1
Onchocerca volvulus		0.0257	0.3018	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Echinococcus granulosus	mitogen activated protein kinase 3	0.0051	0.0405	0.0405
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0171	0.1929	0.6392
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1929	0.6392
Toxoplasma gondii	aldose reductase, putative	0.0032	0.0161	0.3973
Trypanosoma cruzi	aldo-keto reductase	0.0032	0.0161	0.3973
Brugia malayi	Cadherin domain containing protein	0.0044	0.0315	0.1043
Echinococcus multilocularis	neurogenic locus protein delta	0.0044	0.0315	0.0355
Echinococcus granulosus	nuclear receptor nhr 48	0.0081	0.0783	0.0783
Echinococcus granulosus	nuclear receptor subfamily 4 group A	0.0081	0.0783	0.0783
Brugia malayi	nuclear receptor NHR-88	0.0171	0.1929	0.6392
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0171	0.1929	0.1929
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0171	0.1929	0.6392
Echinococcus granulosus	neurogenic locus notch protein 4	0.0044	0.0315	0.0315
Schistosoma mansoni	notch	0.0044	0.0315	0.0315
Schistosoma mansoni	peroxidasin	0.0257	0.3018	0.3018
Echinococcus granulosus	fibropellin Ia	0.0044	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.003	0.0138	0.0457
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Brugia malayi	Nuclear hormone receptor E75	0.0081	0.0783	0.2595
Brugia malayi	nuclear receptor NHR-67	0.0081	0.0783	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0405	0.0939
Onchocerca volvulus	Chorion peroxidase homolog	0.0257	0.3018	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0171	0.1929	0.6392
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.0661	0.2191
Echinococcus multilocularis	geminin	0.0205	0.2357	0.2663
Brugia malayi	Animal haem peroxidase family protein	0.0257	0.3018	1
Echinococcus multilocularis	mitogen activated protein kinase 3	0.0051	0.0405	0.0458
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Echinococcus granulosus	histone lysine methyltransferase setb	0.003	0.0138	0.0138
Echinococcus granulosus	nuclear factor of activated T cells 5	0.0074	0.0693	0.0693
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1929	0.6392
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0081	0.0783	0.0783
Brugia malayi	hypothetical protein	0.0257	0.3018	1
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Echinococcus multilocularis	FTZ F1 alpha	0.0171	0.1929	0.2179
Onchocerca volvulus		0.0044	0.0315	0.0614
Schistosoma mansoni	retinoic acid receptor RXR	0.0807	1	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0071	0.0661	0.0661
Onchocerca volvulus	Putative cubilin	0.0044	0.0315	0.0614
Trypanosoma brucei	prostaglandin f synthase	0.0032	0.0161	0.3973
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0161	0.0534
Onchocerca volvulus		0.0257	0.3018	1
Brugia malayi	Calcium binding EGF domain containing protein	0.0044	0.0315	0.1043
Onchocerca volvulus	Slit protein homolog	0.0044	0.0315	0.0614
Loa Loa (eye worm)	DR-78	0.0081	0.0783	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0171	0.1929	0.6392
Loa Loa (eye worm)	hypothetical protein	0.009	0.0906	0.3001
Schistosoma mansoni	Pro-neuregulin-4 membrane-bound isoform (Pro-NRG4) [Contains: Neuregulin-4 (NRG-4)]	0.0044	0.0315	0.0315
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Schistosoma mansoni	laminin gamma-3 chain	0.0044	0.0315	0.0315
Trypanosoma cruzi	mitogen activated protein kinase 2, putative	0.0051	0.0405	1
Echinococcus multilocularis	neurogenic locus protein delta	0.0044	0.0315	0.0355
Trypanosoma cruzi	aldo/keto reductase, putative	0.0032	0.0161	0.3973
Schistosoma mansoni	notch	0.0044	0.0315	0.0315
Brugia malayi	steroid hormone receptor	0.0171	0.1929	0.6392
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0171	0.1929	0.2179
Schistosoma mansoni	ecdysone-induced protein 78c (dr-78)	0.009	0.0906	0.0906
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Schistosoma mansoni	notch	0.0044	0.0315	0.0315
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.003	0.0138	0.0156
Echinococcus multilocularis	nuclear factor of activated T cells 5	0.0074	0.0693	0.0783
Brugia malayi	Animal haem peroxidase family protein	0.0257	0.3018	1
Brugia malayi	nuclear receptor RXR	0.009	0.0906	0.3001
Entamoeba histolytica	aldose reductase, putative	0.0032	0.0161	0.5
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0171	0.1929	0.1929
Brugia malayi	Calcium binding EGF domain containing protein	0.0044	0.0315	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1929	0.6392
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.003	0.0138	0.3402
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0171	0.1929	0.6392
Echinococcus multilocularis	fat cadherin tumor suppressor	0.0044	0.0315	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0081	0.0783	0.0885
Brugia malayi	Nuclear hormone receptor-like 1	0.0171	0.1929	0.6392
Schistosoma mansoni	zinc finger protein	0.0081	0.0783	0.0783
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Schistosoma mansoni	hypothetical protein	0.0044	0.0315	0.0315
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0405	0.0939
Onchocerca volvulus	Nuclear receptor subfamily 6 group A member 1 homolog	0.0081	0.0783	0.224
Loa Loa (eye worm)	animal heme peroxidase	0.0257	0.3018	1
Schistosoma mansoni	nuclear hormone receptor superfamily protein-related	0.0081	0.0783	0.0783
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Echinococcus multilocularis	peroxidasin	0.0257	0.3018	0.3409
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0161	0.0534
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0171	0.1929	0.1929
Schistosoma mansoni	hypothetical protein	0.0044	0.0315	0.0315
Echinococcus granulosus	neurogenic locus notch protein	0.0044	0.0315	0.0315
Schistosoma mansoni	hypothetical protein	0.0044	0.0315	0.0315
Brugia malayi	Steroid receptor seven-up type 2	0.0171	0.1929	0.6392
Brugia malayi	Animal haem peroxidase family protein	0.0257	0.3018	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0171	0.1929	0.6392
Loa Loa (eye worm)	hypothetical protein	0.009	0.0906	0.3001
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.0661	0.0747
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0032	0.0161	0.3973
Onchocerca volvulus		0.0044	0.0315	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Brugia malayi	EGF-like domain containing protein	0.0044	0.0315	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0019	0	0.5
Leishmania major	mitogen activated protein kinase 4, putative;with=GeneDB:LmxM19.1440	0.0051	0.0405	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Trypanosoma brucei	aldo-keto reductase, putative	0.0032	0.0161	0.3973
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Onchocerca volvulus	Dual oxidase homolog	0.0257	0.3018	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0138	0.0138
Echinococcus multilocularis	neurogenic locus notch protein 4	0.0044	0.0315	0.0355
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0161	0.0534
Echinococcus granulosus	neural cadherin	0.0044	0.0315	0.0315
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0171	0.1929	0.6392
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0161	0.0534
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0161	0.0534
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0171	0.1929	0.1929
Trichomonas vaginalis	set domain proteins, putative	0.0236	0.2762	1
Echinococcus granulosus	Nuclear hormone receptor HR96	0.0081	0.0783	0.0783
Brugia malayi	jmjC domain containing protein	0.0071	0.0661	0.2191
Schistosoma mansoni	nuclear hormone receptor	0.0081	0.0783	0.0783
Echinococcus granulosus	mitogen activated protein kinase	0.0051	0.0405	0.0405
Schistosoma mansoni	thyroid hormone receptor	0.0171	0.1929	0.1929
Echinococcus multilocularis	retinoic acid receptor rxr beta a retinoic acid receptor rxr alpha a retinoic acid receptor rxr alpha	0.0716	0.8854	1
Echinococcus granulosus	FTZ F1 alpha	0.0171	0.1929	0.1929
Echinococcus multilocularis	mitogen activated protein kinase	0.0051	0.0405	0.0458
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0161	0.0534
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.003	0.0138	0.0138
Entamoeba histolytica	aldose reductase, putative	0.0032	0.0161	0.5
Echinococcus granulosus	geminin	0.0205	0.2357	0.2357
Echinococcus multilocularis	nuclear receptor subfamily 4 group A	0.0081	0.0783	0.0885
Schistosoma mansoni	nuclear hormone receptor	0.0171	0.1929	0.1929
Loa Loa (eye worm)	hypothetical protein	0.009	0.0906	0.3001
Brugia malayi	Transmembrane cell adhesion receptor mua-3 precursor, putative	0.0044	0.0315	0.1043
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0171	0.1929	0.6392
Brugia malayi	photoreceptor-specific nuclear receptor	0.0171	0.1929	0.6392
Echinococcus multilocularis	fibropellin Ia	0.0044	0.0315	0.0355
Echinococcus granulosus	protein jagged 1	0.0044	0.0315	0.0315
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0161	0.0161
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0171	0.1929	0.1929
Brugia malayi	ecdysteroid receptor	0.0171	0.1929	0.6392
Schistosoma mansoni	pol-related	0.0032	0.0161	0.0161
Onchocerca volvulus	Protein ultraspiracle homolog	0.0171	0.1929	0.622
Trypanosoma cruzi	mitogen-activated protein kinase 11, putative	0.0051	0.0405	1
Brugia malayi	conserved hypotetical protein	0.0081	0.0783	0.2595
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0405	0.0939
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0171	0.1929	0.6392
Echinococcus granulosus	neurogenic locus notch protein	0.0044	0.0315	0.0315
Brugia malayi	tailless protein	0.0081	0.0783	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Schistosoma mansoni	notch	0.0044	0.0316	0.0316
Schistosoma mansoni	hypothetical protein	0.0044	0.0315	0.0315
Brugia malayi	nuclear receptor RXR	0.0081	0.0783	0.2595
Brugia malayi	ecdysone receptor	0.0081	0.0783	0.2595
Brugia malayi	Blistered cuticle protein 3	0.0257	0.3018	1
Onchocerca volvulus		0.0032	0.0161	0.008
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0171	0.1929	0.2179
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0032	0.0161	1
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Brugia malayi	Nuclear hormone receptor E75	0.0081	0.0783	0.2595
Echinococcus granulosus	lysine specific demethylase 5A	0.0071	0.0661	0.0661
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Schistosoma mansoni	hypothetical protein	0.0044	0.0315	0.0315
Brugia malayi	Calcium binding EGF domain containing protein	0.0044	0.0315	0.1043
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Brugia malayi	Animal haem peroxidase family protein	0.0257	0.3018	1
Loa Loa (eye worm)	steroid hormone receptor	0.0171	0.1929	0.6392
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0171	0.1929	0.6392
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0161	0.0161
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Trichomonas vaginalis	CMGC family protein kinase	0.0051	0.0405	0.0939
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1929	0.6392
Onchocerca volvulus	Neurogenic locus notch protein homolog	0.0044	0.0315	0.0614
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Onchocerca volvulus		0.0044	0.0315	0.0614
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0171	0.1929	0.1929
Mycobacterium ulcerans	oxidoreductase	0.0032	0.0161	0.5
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0171	0.1929	0.2179
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Schistosoma mansoni	slit	0.0044	0.0315	0.0315
Onchocerca volvulus		0.0081	0.0783	0.224
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0171	0.1929	0.1929
Echinococcus granulosus	aldehyde reductase	0.0022	0.0045	0.0045
Onchocerca volvulus		0.0257	0.3018	1
Brugia malayi	notch-like transmembrane receptor	0.0044	0.0315	0.1043
Loa Loa (eye worm)	nuclear hormone receptor	0.0081	0.0783	0.2595
Echinococcus granulosus	slit 2 protein	0.0044	0.0315	0.0315
Schistosoma mansoni	peroxidasin	0.0257	0.3018	0.3018
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0171	0.1929	0.1929
Schistosoma mansoni	hypothetical protein	0.0044	0.0315	0.0315
Echinococcus multilocularis	Nuclear hormone receptor HR96	0.0081	0.0783	0.0885
Loa Loa (eye worm)	hypothetical protein	0.009	0.0906	0.3001
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Onchocerca volvulus	Peroxidase homolog	0.0257	0.3018	1
Onchocerca volvulus	Peroxidase homolog	0.0257	0.3018	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0661	0.0661
Schistosoma mansoni	microtubule-associated protein tau	0.0689	0.8507	0.8507
Brugia malayi	Peroxidasin	0.0257	0.3018	1
Schistosoma mansoni	jumonji domain containing protein	0.0071	0.0661	0.0661
Leishmania major	prostaglandin f synthase, putative	0.0032	0.0161	0.3973
Echinococcus granulosus	protein jagged 2	0.0044	0.0315	0.0315
Brugia malayi	MAP kinase sur-1	0.0051	0.0405	0.1343
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0081	0.0783	0.0885
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0161	0.0534
Schistosoma mansoni	nuclear receptor	0.0081	0.0783	0.0783
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3018	1
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Onchocerca volvulus		0.0032	0.0161	0.008
Brugia malayi	nuclear receptor NHR-88	0.0081	0.0783	0.2595
Brugia malayi	EGF-like domain containing protein	0.0044	0.0315	0.1043
Echinococcus multilocularis	notch	0.0044	0.0315	0.0355
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Schistosoma mansoni	nuclear hormone receptor	0.0081	0.0783	0.0783
Echinococcus granulosus	delta-like protein 1	0.0044	0.0315	0.0315
Echinococcus multilocularis	protein jagged 2	0.0044	0.0315	0.0355
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0171	0.1929	0.2179
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0161	0.0161
Schistosoma mansoni	thyroid hormone receptor	0.0171	0.1929	0.1929
Loa Loa (eye worm)	CMGC/MAPK/ERK1 protein kinase	0.0051	0.0405	0.1343
Onchocerca volvulus	Peroxidasin homolog	0.0257	0.3018	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0661	0.0661
Onchocerca volvulus		0.0032	0.0161	0.008
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0171	0.1929	0.6392
Echinococcus multilocularis	neurogenic locus notch protein	0.0044	0.0315	0.0355
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0032	0.0161	0.0161
Loa Loa (eye worm)	hypothetical protein	0.009	0.0906	0.3001
Giardia lamblia	High cysteine protein	0.0044	0.0315	0.6288
Leishmania major	aldo-keto reductase-like protein	0.0032	0.0161	0.3973
Echinococcus granulosus	aldo keto reductase	0.0032	0.0161	0.0161
Onchocerca volvulus	Neurogenic locus notch homolog	0.0044	0.0316	0.0619
Onchocerca volvulus	Peroxidasin homolog	0.0257	0.3018	1
Onchocerca volvulus		0.0044	0.0315	0.0614
Brugia malayi	Pre-SET motif family protein	0.0208	0.2398	0.7943
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0171	0.1929	0.6392
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Brugia malayi	nuclear hormone receptor	0.0171	0.1929	0.6392
Schistosoma mansoni	aldo-keto reductase	0.0032	0.0161	0.0161
Echinococcus granulosus	neurogenic locus protein delta	0.0044	0.0315	0.0315
Brugia malayi	Cadherin domain containing protein	0.0044	0.0315	0.1043
Brugia malayi	GCC2 and GCC3 family protein	0.0044	0.0315	0.1043
Onchocerca volvulus		0.0044	0.0315	0.0614
Loa Loa (eye worm)	animal heme peroxidase	0.0257	0.3018	1
Schistosoma mansoni	nuclear receptor nhr-48	0.0081	0.0783	0.0783
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0783	0.2595
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Schistosoma mansoni	aldo-keto reductase	0.0032	0.0161	0.0161
Brugia malayi	hypothetical protein	0.009	0.0906	0.3001
Brugia malayi	Nuclear hormone receptor-like 1	0.009	0.0906	0.3001
Leishmania major	mitogen activated protein kinase, putative,map kinase, putative	0.0051	0.0405	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0171	0.1929	0.2179
Echinococcus granulosus	protein jagged 1	0.0044	0.0315	0.0315
Loa Loa (eye worm)	Notch2	0.0044	0.0315	0.1043
Echinococcus multilocularis	aldo keto reductase	0.0032	0.0161	0.0182
Echinococcus granulosus	aldo keto reductase	0.0032	0.0161	0.0161
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0071	0.0661	0.0747
Loa Loa (eye worm)	nuclear receptor nhr-7B	0.0081	0.0783	0.2595
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0171	0.1929	0.6392
Brugia malayi	EGF-like domain containing protein	0.0044	0.0315	0.1043
Loa Loa (eye worm)	oxidoreductase	0.0032	0.0161	0.0534
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0032	0.0161	0.0534
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0032	0.0161	0.0182
Loa Loa (eye worm)	hypothetical protein	0.0171	0.1929	0.6392
Loa Loa (eye worm)	hypothetical protein	0.0044	0.0315	0.1043
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0171	0.1929	0.6392
Echinococcus multilocularis	slit 2 protein	0.0044	0.0315	0.0355
Onchocerca volvulus		0.0171	0.1929	0.622
Schistosoma mansoni	notch	0.0044	0.0315	0.0315

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.0041 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)	0.5221 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)	= 11.2202 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 997 ]	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Human alpha-Glucosidase as a Potential Chaperone Treatment of Pompe Disease. (Class of assay: confirmatory) [Related pubchem assays: 1467, 2100, 2112, 1473, 1466 ]	ChEMBL.	No reference
Potency (functional)	28.1838 uM	PubChem BioAssay. qHTS for Activators of Integrin-Mediated Alleviation for Muscular Dystrophy. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	32.6427 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)	79.4328 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

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: CHEMBL1601868

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1440182