TDR Targets

Basic information

Technical information

TDR Targets ID: 1352063
Name: 2-[[ethyl-[(4-oxo-1H-thieno[2,3-e]pyrimidin-2 -yl)methyl]amino]methyl]-1H-quinazolin-4-one
MW: 367.425 | Formula: C18H17N5O2S
H donors: 2 H acceptors: 6 LogP: 2.65 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCN(Cc1nc(O)c2c(n1)ccs2)Cc1nc(O)c2c(n1)cccc2
InChi: 1S/C18H17N5O2S/c1-2-23(10-15-20-13-7-8-26-16(13)18(25)22-15)9-14-19-12-6-4-3-5-11(12)17(24)21-14/h3-8H,2,9-10H2,1H3,(H,19,21,24)(H,20,22,25)
InChiKey: BOBNYUAVAOPMAV-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-[[ethyl-[(4-keto-1H-thieno[2,3-e]pyrimidin-2-yl)methyl]amino]methyl]-1H-quinazolin-4-one
MLS000774569
SMR000372112

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	huntingtin	Starlite/ChEMBL	No references
Homo sapiens	nuclear factor, erythroid 2-like 2	Starlite/ChEMBL	No references
Homo sapiens	tyrosyl-DNA phosphodiesterase 1	Starlite/ChEMBL	No references
Homo sapiens	apolipoprotein B mRNA editing enzyme, catalytic polypeptide-like 3D	Starlite/ChEMBL	No references
Homo sapiens	geminin, DNA replication inhibitor	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references
Homo sapiens	ATPase family, AAA domain containing 5	Starlite/ChEMBL	No references
Homo sapiens	glucagon-like peptide 1 receptor	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Giardia intestinalis	Putative fructose-1,6-bisphosphate aldolase	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Trypanosoma brucei gambiense	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	Get druggable targets OG5_129037	All targets in OG5_129037
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Treponema pallidum	fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus multilocularis	transcription factor Dp 1	Get druggable targets OG5_129037	All targets in OG5_129037
Trypanosoma congolense	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Leishmania braziliensis	tyrosyl-DNA phosphodiesterase, putative;with=GeneDB:LinJ33_V3.3210	Get druggable targets OG5_129037	All targets in OG5_129037
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Leishmania mexicana	tyrosyl-DNA phosphodiesterase-like protein	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Leishmania infantum	tyrosyl-DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Leishmania major	tyrosyl-DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Giardia lamblia	Fructose-bisphosphate aldolase	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	Get druggable targets OG5_129037	All targets in OG5_129037
Schistosoma japonicum	ko:K01113 phosphodiesterase/alkaline phosphatase D [EC3.1.4.1], putative	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus granulosus	transcription factor Dp 1	Get druggable targets OG5_129037	All targets in OG5_129037
Onchocerca volvulus	Huntingtin homolog	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	Get druggable targets OG5_129037	All targets in OG5_129037
Brugia malayi	hypothetical protein	Get druggable targets OG5_132837	All targets in OG5_132837
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	Get druggable targets OG5_129037	All targets in OG5_129037
Cryptosporidium hominis	hypothetical protein	Get druggable targets OG5_129037	All targets in OG5_129037
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Cryptosporidium parvum	tyrosyl-DNA phodphodiesterase 1 (tdp1)	Get druggable targets OG5_129037	All targets in OG5_129037
Leishmania donovani	tyrosyl-DNA phosphodiesterase-like protein	Get druggable targets OG5_129037	All targets in OG5_129037
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	Get druggable targets OG5_129037	All targets in OG5_129037
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	Get druggable targets OG5_139225	All targets in OG5_139225
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	Get druggable targets OG5_129214	All targets in OG5_129214
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	Get druggable targets OG5_129037	All targets in OG5_129037

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 %
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.8 %
Mycobacterium ulcerans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	26.9 %
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	Putative fructose-1,6-bisphosphate aldolase	323 aa	361 aa	25.5 %
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 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Candida albicans	fructose-bisphosphate aldolase	Putative fructose-1,6-bisphosphate aldolase	323 aa	358 aa	22.6 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	DNA polymerase kappa, putative	0.0023	0.0033	0.0718
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0023	0.0023
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0033	0.0718
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0137	0.0136
Toxoplasma gondii	histone lysine demethylase JMJC1/KDM5D/JARID1D	0.0019	0.0023	0.5
Echinococcus multilocularis	Immunoglobulin	0.001	0.0003	0.0002
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0753	1
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0033	0.0031
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0009	0.0007
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0156	1
Entamoeba histolytica	tyrosyl-DNA phosphodiesterase, putative	0.008	0.0156	0.1711
Brugia malayi	Immunoglobulin I-set domain containing protein	0.001	0.0003	0.0002
Echinococcus multilocularis	lysine specific demethylase 6a	0.0019	0.0023	0.0022
Loa Loa (eye worm)	hypothetical protein	0.176	0.3829	0.3833
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0033	0.0718
Brugia malayi	hypothetical protein	0.001	0.0003	0.0002
Brugia malayi	hypothetical protein	0.0148	0.0305	0.0304
Echinococcus multilocularis	activin receptor type	0.2071	0.4508	0.4508
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0033	0.0031
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0009	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0009	0.0002	0.0002
Brugia malayi	hypothetical protein	0.176	0.3829	0.3833
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0009	0.0007
Schistosoma mansoni	smad1 5 8 and	0.001	0.0003	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0016	0.0016
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0009	0.0009
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0009	0.0007
Brugia malayi	Fibronectin type III domain containing protein	0.001	0.0003	0.0002
Onchocerca volvulus	Basement membrane proteoglycan homolog	0.0011	0.0007	0.0183
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0071	0.0137	0.0136
Brugia malayi	MH2 domain containing protein	0.001	0.0003	0.0002
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0009	0.0007
Onchocerca volvulus	Protein ultraspiracle homolog	0.0012	0.0009	0.0227
Brugia malayi	Calcitonin receptor-like protein seb-1	0.006	0.0114	0.0112
Echinococcus multilocularis	TGF beta receptor type 1	0.4584	1	1
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.0297	0.0297
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0009	0.0007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Echinococcus multilocularis	lysine specific demethylase 5A	0.0071	0.0137	0.0136
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Echinococcus granulosus	dna polymerase eta	0.0023	0.0033	0.0031
Brugia malayi	jmjC domain containing protein	0.0019	0.0023	0.0022
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0033	0.0031
Echinococcus granulosus	GPCR family 2	0.0019	0.0024	0.0022
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0009	0.0007
Loa Loa (eye worm)	jmjC domain-containing protein	0.0071	0.0137	0.0137
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0305	0.0306
Schistosoma mansoni	hypothetical protein	0.0205	0.0429	0.0428
Brugia malayi	Protein kinase domain containing protein	0.1767	0.3843	0.3847
Brugia malayi	MH2 domain containing protein	0.0144	0.0297	0.0296
Brugia malayi	MH1 domain containing protein	0.001	0.0003	0.0002
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0172	0.0359	1
Schistosoma mansoni	Neurotrimin precursor (hNT)	0.001	0.0003	0.0002
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0182	0.0381	0.0381
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0009	0.0007
Schistosoma mansoni	protein kinase	0.4584	1	1
Schistosoma mansoni	vesicular amine transporter	0.001	0.0003	0.0002
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Schistosoma mansoni	smad1 5 8 and	0.001	0.0003	0.0002
Schistosoma mansoni	tyrosyl-DNA phosphodiesterase	0.008	0.0156	0.0155
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0033	0.1136
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0009	0.0007
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0009	0.0007
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0033	0.0031
Echinococcus multilocularis	smad	0.001	0.0003	0.0002
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0009	0.0007
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Echinococcus granulosus	TGF beta signal transducer SmadC	0.001	0.0003	0.0002
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0009	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0041	0.0072	0.0072
Echinococcus multilocularis	serine:threonine protein kinase receptor R3	0.207	0.4506	0.4506
Onchocerca volvulus	Tyrosine kinase homolog	0.0148	0.0306	0.8039
Echinococcus multilocularis	GPCR, family 2	0.0019	0.0024	0.0022
Giardia lamblia	Fructose-bisphosphate aldolase	0.0353	0.0753	1
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0009	0.0007
Echinococcus granulosus	Jumonji AT rich interactive domain 1B	0.0019	0.0023	0.0022
Onchocerca volvulus		0.0012	0.0009	0.0227
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Echinococcus multilocularis	mothers against decapentaplegic 5	0.001	0.0003	0.0002
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0009	0.0007
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0009	0.0007
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Schistosoma mansoni	Smad4	0.001	0.0003	0.0002
Echinococcus granulosus	phd:f box containing protein	0.0019	0.0023	0.0022
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0753	1
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0033	0.0718
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Brugia malayi	MH2 domain containing protein	0.001	0.0003	0.0002
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0012	0.0009	0.0009
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0009	0.0007
Echinococcus multilocularis	Jumonji, AT rich interactive domain 1B	0.0019	0.0023	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0009	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0023	0.0023
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0009	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0033	0.0033
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0009	0.0007
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0023	0.0023
Echinococcus granulosus	transcription factor Dp 1	0.0046	0.0083	0.0081
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0009	0.0007
Echinococcus granulosus	JmjC domain containing protein 4	0.0019	0.0023	0.0022
Echinococcus granulosus	TGF-beta receptor type-1	0.4584	1	1
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.0297	0.0297
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0009	0.0007
Onchocerca volvulus		0.0145	0.0299	0.7845
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0009	0.0007
Schistosoma mansoni	defective proboscis extension response (dpr)-related	0.001	0.0003	0.0002
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0159	0.0329	0.0328
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0009	0.0007
Loa Loa (eye worm)	Smad1	0.001	0.0003	0.0003
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0009	0.0007
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0009	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0009	0.0007
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0033	0.0031
Echinococcus multilocularis	phd:f box containing protein	0.0019	0.0023	0.0022
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0033	0.1136
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0753	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0172	0.0359	0.5
Schistosoma mansoni	protein kinase	0.2064	0.4494	0.4493
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0753	1
Brugia malayi	latrophilin 2 splice variant baaae	0.0041	0.0072	0.007
Trypanosoma brucei	unspecified product	0.0023	0.0033	0.1136
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0009	0.0007
Leishmania major	DNA polymerase kappa, putative,DNA polymerase IV, putative	0.0023	0.0033	0.0718
Schistosoma mansoni	cell adhesion molecule	0.0013	0.001	0.0009
Brugia malayi	jmjC domain containing protein	0.0019	0.0023	0.0022
Entamoeba histolytica	hypothetical protein	0.0043	0.0077	0.0611
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0009	0.0007
Loa Loa (eye worm)	hypothetical protein	0.006	0.0114	0.0114
Onchocerca volvulus	Huntingtin homolog	0.0148	0.0305	0.8018
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0024	0.0024
Schistosoma mansoni	jumonji domain containing protein	0.0071	0.0137	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Onchocerca volvulus	Bile acid receptor homolog	0.0012	0.0009	0.0227
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0009	0.0007
Echinococcus granulosus	lysine specific demethylase 5A	0.0071	0.0137	0.0136
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0016	0.0016
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0753	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Schistosoma mansoni	hypothetical protein	0.0019	0.0024	0.0022
Echinococcus multilocularis	neuroglian	0.0012	0.0009	0.0007
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0009	0.0007
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0009	0.0009
Echinococcus granulosus	neurotracting:lsamp:neurotrimin:obcam	0.0013	0.001	0.0009
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0009	0.0007
Toxoplasma gondii	histone lysine demethylase JMJD6a	0.0019	0.0023	0.5
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0009	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0009	0.0007
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0033	0.1136
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0023	0.0023
Loa Loa (eye worm)	hypothetical protein	0.001	0.0004	0.0004
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Echinococcus multilocularis	basement membrane specific heparan sulfate	0.0016	0.0016	0.0014
Entamoeba histolytica	hypothetical protein	0.0043	0.0077	0.0611
Schistosoma mansoni	nephrin	0.0012	0.0009	0.0007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0009	0.0009
Echinococcus granulosus	defective proboscis extension response	0.001	0.0003	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0009	0.0007
Schistosoma mansoni	hypothetical protein	0.0019	0.0024	0.0022
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Schistosoma mansoni	jumonji domain containing protein	0.0019	0.0023	0.0022
Loa Loa (eye worm)	CAMK protein kinase	0.0009	0.0002	0.0002
Echinococcus granulosus	neuroglian	0.0012	0.0009	0.0007
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0009	0.0007
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0009	0.0007
Onchocerca volvulus		0.0009	0.0002	0.0052
Schistosoma mansoni	smad	0.001	0.0003	0.0002
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0043	0.0077	0.0075
Schistosoma mansoni	transcription factor LCR-F1	0.0043	0.0077	0.0075
Onchocerca volvulus	Huntingtin homolog	0.0148	0.0305	0.8018
Brugia malayi	steroid hormone receptor	0.0012	0.0009	0.0007
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0033	0.0031
Brugia malayi	Tyrosyl-DNA phosphodiesterase family protein	0.008	0.0156	0.0155
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0033	0.0031
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0009	0.0009
Echinococcus multilocularis	roundabout 2	0.0015	0.0016	0.0014
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0009	0.0009
Entamoeba histolytica	hypothetical protein	0.0043	0.0077	0.0611
Trypanosoma brucei	JmjC domain, hydroxylase, putative	0.0019	0.0023	0.0451
Echinococcus granulosus	tyrosyl DNA phosphodiesterase 1	0.008	0.0156	0.0155
Onchocerca volvulus		0.0182	0.0381	1
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.1767	0.3843	0.3848
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0033	0.0033
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Echinococcus granulosus	Smad4	0.001	0.0003	0.0002
Echinococcus multilocularis	transcription factor Dp 1	0.0046	0.0083	0.0081
Schistosoma mansoni	hypothetical protein	0.0043	0.0077	0.0075
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0009	0.0007
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0033	0.0031
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0172	0.0359	1
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.006	0.0114	0.0112
Trypanosoma cruzi	DNA polymerase kappa, putative	0.0023	0.0033	0.0718
Brugia malayi	hypothetical protein	0.0043	0.0077	0.0076
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0019	0.0024	0.0022
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0753	1
Brugia malayi	Latrophilin receptor protein 2	0.0019	0.0024	0.0022
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0019	0.0024	0.0024
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0009	0.0007
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Echinococcus multilocularis	geminin	0.0205	0.0429	0.0428
Plasmodium falciparum	JmjC domain-containing protein, putative	0.0019	0.0023	0.5
Loa Loa (eye worm)	hypothetical protein	0.001	0.0003	0.0003
Schistosoma mansoni	phosphatidylserine receptor	0.0019	0.0023	0.0022
Echinococcus granulosus	lysine specific demethylase 6a	0.0019	0.0023	0.0022
Brugia malayi	jmjC domain containing protein	0.0019	0.0023	0.0022
Leishmania major	DNA polymerase eta, putative	0.0023	0.0033	0.0718
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0071	0.0137	0.0136
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0019	0.0024	0.0022
Loa Loa (eye worm)	tyrosyl-DNA phosphodiesterase	0.008	0.0156	0.0156
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0009	0.0007
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0009	0.0007
Brugia malayi	protein C17H12.11	0.176	0.3829	0.3833
Echinococcus multilocularis	JmjC domain containing protein 4	0.0019	0.0023	0.0022
Brugia malayi	jmjC domain containing protein	0.0019	0.0023	0.0022
Schistosoma mansoni	ubiquitously transcribed sex (X/Y) chromosome tetratricopeptide repeat protein-related	0.0019	0.0023	0.0022
Schistosoma mansoni	coup transcription factor	0.0012	0.0009	0.0007
Echinococcus granulosus	geminin	0.0205	0.0429	0.0428
Echinococcus multilocularis	Immunoglobulin	0.001	0.0003	0.0002
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0033	0.0031
Echinococcus granulosus	mothers against decapentaplegic 5	0.001	0.0003	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0013	0.001	0.001
Entamoeba histolytica	hypothetical protein	0.0043	0.0077	0.0611
Brugia malayi	bone morphogenetic protein type 1 receptor	0.4578	0.9987	1
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.0012	0.0009	0.0227
Brugia malayi	Smad1	0.001	0.0003	0.0002
Schistosoma mansoni	phd/f-box containing protein	0.0019	0.0023	0.0022
Brugia malayi	ecdysteroid receptor	0.0012	0.0009	0.0007
Loa Loa (eye worm)	TK/KIN16 protein kinase	0.0159	0.0329	0.0329
Loa Loa (eye worm)	CAMK/MLCK protein kinase	0.0009	0.0002	0.0002
Trypanosoma cruzi	DNA polymerase eta, putative	0.0023	0.0033	0.0718
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0753	1
Trypanosoma brucei	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0156	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0009	0.0009
Echinococcus granulosus	roundabout 2	0.0015	0.0016	0.0014
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0019	0.0024	0.0022
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.0753	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0009	0.0007
Schistosoma mansoni	smad1 5 8 and	0.001	0.0003	0.0002
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0353	0.0753	1
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0033	0.1136
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0033	0.1136
Brugia malayi	nuclear hormone receptor	0.0012	0.0009	0.0007
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0071	0.0137	0.0136
Brugia malayi	hypothetical protein	0.0182	0.0381	0.038
Loa Loa (eye worm)	MH1 domain-containing protein	0.001	0.0003	0.0003
Schistosoma mansoni	protein phosphatase 2C	0.0019	0.0023	0.0022
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0033	0.0031
Trypanosoma cruzi	tyrosyl-DNA Phosphodiesterase (Tdp1), putative	0.008	0.0156	1
Loa Loa (eye worm)	TKL/STKR/TYPE2 protein kinase	0.1767	0.3843	0.3848
Schistosoma mansoni	hypothetical protein	0.0019	0.0024	0.0022
Echinococcus granulosus	twitchin	0.0019	0.0023	0.0022
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0009	0.0007
Loa Loa (eye worm)	TKL/STKR/TYPE1 protein kinase	0.4578	0.9987	1
Echinococcus granulosus	activin receptor type	0.2071	0.4508	0.4508
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0009	0.0007
Loa Loa (eye worm)	MH2 domain-containing protein	0.001	0.0003	0.0003
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0009	0.0007
Loa Loa (eye worm)	jmjC domain-containing protein	0.0019	0.0023	0.0023
Echinococcus granulosus	Immunoglobulin	0.001	0.0003	0.0002
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0009	0.0007
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Brugia malayi	jmjC domain containing protein	0.0071	0.0137	0.0136
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0009	0.0007
Schistosoma mansoni	hypothetical protein	0.0019	0.0024	0.0022
Schistosoma mansoni	hypothetical protein	0.0041	0.0072	0.007
Echinococcus granulosus	jumonji domain containing 1A	0.0019	0.0023	0.0022
Leishmania major	tyrosyl-DNA phosphodiesterase 1	0.008	0.0156	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0019	0.0024	0.0022
Echinococcus granulosus	smad	0.001	0.0003	0.0002
Echinococcus multilocularis	tyrosyl DNA phosphodiesterase 1	0.008	0.0156	0.0155
Schistosoma mansoni	hypothetical protein	0.0205	0.0429	0.0428
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0023	0.0023
Echinococcus multilocularis	TGF beta signal transducer SmadC	0.001	0.0003	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0148	0.0305	0.0306
Echinococcus multilocularis	Smad4	0.001	0.0003	0.0002
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0353	0.0753	1
Brugia malayi	MH1 domain containing protein	0.001	0.0003	0.0002
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0009	0.0009
Schistosoma mansoni	TGF-beta signal transducer Smad2	0.001	0.0003	0.0002
Treponema pallidum	fructose-bisphosphate aldolase	0.0353	0.0753	0.5
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.006	0.0114	0.0114
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0019	0.0024	0.0022
Echinococcus multilocularis	jumonji domain containing 1A	0.0019	0.0023	0.0022
Brugia malayi	jmjC domain containing protein	0.0071	0.0137	0.0136
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0043	0.0077	0.0075
Echinococcus multilocularis	atpase aaa+ type core atpase aaa type core	0.0979	0.2122	0.2121
Plasmodium vivax	JmjC domain containing protein	0.0019	0.0023	0.5
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0009	0.0009
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0009	0.0007

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	0.1158 uM	PUBCHEM_BIOASSAY: Nrf2 qHTS screen for inhibitors. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID493153, AID493163, AID504648]	ChEMBL.	No reference
Potency (functional)	= 0.4467 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 0.7924 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia. (Class of assay: confirmatory) [Related pubchem assays: 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	= 1 um	PUBCHEM_BIOASSAY: VP16 counterscreen qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	1.4716 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)	2.2387 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Vif-A3F Interactions: qHTS. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	2.5119 uM	PubChem BioAssay. qHTS of GLP-1 Receptor Inverse Agonists (Inhibition Mode). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (binding)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Tyrosyl-DNA Phosphodiesterase (TDP1). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	5.6234 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b: Cytotox Counterscreen. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588855, AID588860]	ChEMBL.	No reference
Potency (functional)	6.5131 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)	= 8.9125 um	PUBCHEM_BIOASSAY: qHTS Multiplex Assay to Identify Dual Action Probes in a Cell Model of Huntington: Aggregate Formation (GFP). (Class of assay: confirmatory) [Related pubchem assays: 1482, 1471 ]	ChEMBL.	No reference
Potency (functional)	8.9125 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	14.575 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)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Agonists of the Relaxin Receptor RXFP1. (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)	35.4813 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Activators of N370S glucocerebrosidase as a Potential Chaperone Treatment of Gaucher Disease. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID1473, AID2293, AID2577, AID2578, AID2587, AID2588, AID2589, AID2590, AID2592, AID2593, AID2595, AID2596, AID2597, AID2613, AID2671, AID488845]	ChEMBL.	No reference
Potency (functional)	= 39.8107 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Fructose-1,6-bisphosphate Aldolase from Giardia Lamblia: Coupling assay counterscreen confirmation. (Class of assay: confirmatory) [Related pubchem assays: 2451, 2472, 2464 ]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

Species name	Source	Reference	Is orphan
Plasmodium falciparum	ChEMBL23
Homo sapiens	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: CHEMBL1464106

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1352063