TDR Targets

Basic information

Technical information

TDR Targets ID: 1443987
Name: (5E)-1-(2,4-dimethoxyphenyl)-5-[[1-(2-morphol in-4-yl-2-oxoethyl)indol-3-yl]methylidene]-1, 3-diazinane-2,4,6-trione
MW: 518.518 | Formula: C27H26N4O7
H donors: 1 H acceptors: 4 LogP: 1.98 Rotable bonds: 7
Rule of 5 violations (Lipinski): 2
SMILES: COc1ccc(c(c1)OC)N1C(=O)NC(=O)/C(=C\c2cn(c3c2cccc3)CC(=O)N2CCOCC2)/C1=O
InChi: 1S/C27H26N4O7/c1-36-18-7-8-22(23(14-18)37-2)31-26(34)20(25(33)28-27(31)35)13-17-15-30(21-6-4-3-5-19(17)21)16-24(32)29-9-11-38-12-10-29/h3-8,13-15H,9-12,16H2,1-2H3,(H,28,33,35)/b20-13+
InChiKey: NKYOBVXTXCCGJE-DEDYPNTBSA-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

(5E)-1-(2,4-dimethoxyphenyl)-5-[[1-(2-morpholino-2-oxo-ethyl)indol-3-yl]methylene]hexahydropyrimidine-2,4,6-trione
(5E)-1-(2,4-dimethoxyphenyl)-5-[[1-(2-morpholino-2-oxoethyl)-3-indolyl]methylene]hexahydropyrimidine-2,4,6-trione
(5E)-1-(2,4-dimethoxyphenyl)-5-[[1-(2-keto-2-morpholino-ethyl)indol-3-yl]methylene]barbituric acid
(5E)-1-(2,4-dimethoxyphenyl)-5-[[1-(2-morpholin-4-yl-2-oxo-ethyl)indol-3-yl]methylidene]-1,3-diazinane-2,4,6-trione

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Escherichia coli	penicillin-binding protein	Starlite/ChEMBL	No references
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	G protein-coupled receptor 55	Starlite/ChEMBL	No references
Homo sapiens	flap structure-specific endonuclease 1	Starlite/ChEMBL	No references
Homo sapiens	polymerase (DNA directed) iota	Starlite/ChEMBL	No references
Mus musculus	RAR-related orphan receptor gamma	Starlite/ChEMBL	No references
Homo sapiens	polo-like kinase 1	Starlite/ChEMBL	No references
Homo sapiens	SMAD family member 2	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Loa Loa (eye worm)	transcription factor SMAD2	Get druggable targets OG5_131716	All targets in OG5_131716
Schistosoma japonicum	ko:K04799 flap endonuclease-1, putative	Get druggable targets OG5_127472	All targets in OG5_127472
Brugia malayi	Flap endonuclease-1	Get druggable targets OG5_127472	All targets in OG5_127472
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trypanosoma brucei gambiense	flap endonuclease-1 (FEN-1), putative	Get druggable targets OG5_127472	All targets in OG5_127472
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	Get druggable targets OG5_127472	All targets in OG5_127472
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	Get druggable targets OG5_127472	All targets in OG5_127472
Plasmodium yoelii	flap endonuclease-1-related	Get druggable targets OG5_127472	All targets in OG5_127472
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania mexicana	flap endonuclease-1 (FEN-1), putative	Get druggable targets OG5_127472	All targets in OG5_127472
Cryptosporidium hominis	flap endonuclease 1	Get druggable targets OG5_127472	All targets in OG5_127472
Schistosoma mansoni	flap endonuclease-1	Get druggable targets OG5_127472	All targets in OG5_127472
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Plasmodium berghei	flap endonuclease 1, putative	Get druggable targets OG5_127472	All targets in OG5_127472
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Giardia lamblia	Flap structure-specific endonuclease	Get druggable targets OG5_127472	All targets in OG5_127472
Babesia bovis	XPG N-terminal domain and XPG I-region domain containing protein	Get druggable targets OG5_127472	All targets in OG5_127472
Neospora caninum	flap endonuclease-1, putative	Get druggable targets OG5_127472	All targets in OG5_127472
Trichomonas vaginalis	flap endonuclease-1, putative	Get druggable targets OG5_127472	All targets in OG5_127472
Theileria parva	flap endonuclease 1, putative	Get druggable targets OG5_127472	All targets in OG5_127472
Entamoeba histolytica	Flap nuclease, putative	Get druggable targets OG5_127472	All targets in OG5_127472
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
Plasmodium falciparum	flap endonuclease 1	Get druggable targets OG5_127472	All targets in OG5_127472
Loa Loa (eye worm)	PLK/PLK1 protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Brugia malayi	serine/threonine-protein kinase plk-2	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Toxoplasma gondii	flap structure-specific endonuclease 1, putative	Get druggable targets OG5_127472	All targets in OG5_127472
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 mansoni	serine/threonine protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma cruzi	polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania infantum	flap endonuclease-1 (FEN-1), putative	Get druggable targets OG5_127472	All targets in OG5_127472
Leishmania braziliensis	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus granulosus	flap endonuclease 1	Get druggable targets OG5_127472	All targets in OG5_127472
Leishmania major	flap endonuclease-1 (FEN-1), putative	Get druggable targets OG5_127472	All targets in OG5_127472
Candida albicans	protein serine/threonine kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Giardia lamblia	Kinase, PLK	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	flap endonuclease 1	Get druggable targets OG5_127472	All targets in OG5_127472
Loa Loa (eye worm)	MH2 domain-containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Trypanosoma brucei	polo-like protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Schistosoma japonicum	Serine/threonine-protein kinase PLK1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
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	ko:K06631 polo-like kinase 1, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania mexicana	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Loa Loa (eye worm)	flap endonuclease-1	Get druggable targets OG5_127472	All targets in OG5_127472
Plasmodium vivax	flap endonuclease 1, putative	Get druggable targets OG5_127472	All targets in OG5_127472
Echinococcus granulosus	serine:threonine protein kinase PLK1	Get druggable targets OG5_127396	All targets in OG5_127396
Mycobacterium tuberculosis	Possible penicillin-binding protein	Get druggable targets OG5_149948	All targets in OG5_149948
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Entamoeba histolytica	serine/threonine protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Leishmania donovani	flap endonuclease-1 (FEN-1), putative	Get druggable targets OG5_127472	All targets in OG5_127472
Leishmania infantum	protein kinase, putative,polo-like protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Trypanosoma congolense	protein kinase, putative	Get druggable targets OG5_127396	All targets in OG5_127396
Trichomonas vaginalis	CAMK family protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Onchocerca volvulus	Serine\/threonine kinase homolog	Get druggable targets OG5_127396	All targets in OG5_127396
Brugia malayi	MH2 domain containing protein	Get druggable targets OG5_131716	All targets in OG5_131716
Cryptosporidium parvum	flap endonuclease 1	Get druggable targets OG5_127472	All targets in OG5_127472
Trypanosoma congolense	flap endonuclease-1 (FEN-1), putative	Get druggable targets OG5_127472	All targets in OG5_127472
Trypanosoma brucei gambiense	polo-like protein kinase,protein kinase	Get druggable targets OG5_127396	All targets in OG5_127396
Plasmodium knowlesi	flap endonuclease 1, putative	Get druggable targets OG5_127472	All targets in OG5_127472
Leishmania braziliensis	flap endonuclease-1 (FEN-1), putative	Get druggable targets OG5_127472	All targets in OG5_127472
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088

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 %
Brugia malayi	MH2 domain containing protein	SMAD family member 2	467 aa	405 aa	31.6 %
Trypanosoma brucei	exonuclease, putative	flap structure-specific endonuclease 1	380 aa	322 aa	24.5 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Leishmania major	cytochrome P450 reductase, putative	0.0073	0.2369	0.5509
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0083	0.272	0.6545
Toxoplasma gondii	flavodoxin domain-containing protein	0.0041	0.1165	0.7975
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0089	0.0177
Brugia malayi	nuclear receptor NHR-88	0.0012	0.0089	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1256	0.2505
Schistosoma mansoni	5-methyl tetrahydrofolate-homocysteine methyltransferase reductase	0.0051	0.1539	0.3957
Plasmodium falciparum	nitric oxide synthase, putative	0.0083	0.272	1
Onchocerca volvulus		0.0043	0.1256	0.307
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.0012	0.0089	0.0177
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0114	0.389	1
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.0012	0.0089	0.0228
Mycobacterium ulcerans	esterase/lipase LipP	0.0043	0.1256	0.3396
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0089	0.0228
Mycobacterium ulcerans	lipase LipD	0.0043	0.1256	0.3396
Brugia malayi	Steroid receptor seven-up type 2	0.0012	0.0089	0.0177
Trypanosoma brucei	NADPH-dependent diflavin oxidoreductase 1	0.0083	0.272	0.68
Leishmania major	hypothetical protein, conserved	0.0032	0.0814	0.0918
Brugia malayi	flavodoxin family protein	0.0083	0.272	0.5426
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0177
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.0012	0.0089	0.0177
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0207	0.0532
Giardia lamblia	Flap structure-specific endonuclease	0.0031	0.0807	0.0897
Echinococcus granulosus	beta LACTamase domain containing family member	0.0043	0.1256	0.3228
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1256	0.2223
Loa Loa (eye worm)	flavodoxin family protein	0.0032	0.0814	0.1624
Mycobacterium tuberculosis	Probable esterase LipL	0.0043	0.1256	0.0793
Schistosoma mansoni	rab geranylgeranyl transferase alpha subunit	0.0023	0.0503	0.1293
Echinococcus granulosus	methionine synthase reductase	0.0051	0.1539	0.3957
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1256	0.2505
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0503	0.0738
Brugia malayi	serine/threonine-protein kinase plk-2	0.0114	0.389	0.776
Treponema pallidum	flavodoxin	0.0032	0.0814	0.5
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0032	0.0814	0.0918
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.0012	0.0089	0.0228
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0043	0.1256	0.2505
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0089	0.0228
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.389	1
Schistosoma mansoni	serine/threonine protein kinase	0.0114	0.389	1
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1695	0.4356
Entamoeba histolytica	Flap nuclease, putative	0.0031	0.0807	0.0897
Trichomonas vaginalis	NADPH fad oxidoreductase, putative	0.0073	0.2369	0.5509
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.0012	0.0089	0.0228
Trypanosoma cruzi	flap endonuclease-1 (FEN-1), putative	0.0031	0.0807	0.0897
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.1256	0.3228
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0089	0.0177
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0503	0.1004
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0114	0.389	1
Mycobacterium tuberculosis	Probable hydrolase	0.0043	0.1256	0.0793
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1695	0.4356
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.0012	0.0089	0.0177
Trypanosoma cruzi	NADPH-dependent FMN/FAD containing oxidoreductase, putative	0.0083	0.272	0.6545
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0043	0.1256	0.2505
Plasmodium vivax	flavodoxin domain containing protein	0.0073	0.2369	0.8166
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.0012	0.0089	0.0177
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.0012	0.0089	0.0228
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.1741	0.3654
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0089	0.0228
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0503	0.0738
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0043	0.1256	0.0793
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.0012	0.0089	0.0177
Echinococcus multilocularis	methionine synthase reductase	0.0051	0.1539	0.3957
Loa Loa (eye worm)	hypothetical protein	0.0049	0.1447	0.2885
Entamoeba histolytica	type A flavoprotein, putative	0.0032	0.0814	0.0918
Schistosoma mansoni	DNA polymerase eta	0.0023	0.0503	0.1293
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0083	0.272	0.5426
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.0012	0.0089	0.0177
Echinococcus multilocularis	dna polymerase kappa	0.0023	0.0503	0.1293
Brugia malayi	photoreceptor-specific nuclear receptor	0.0012	0.0089	0.0177
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.0012	0.0089	0.0228
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Echinococcus multilocularis	NADPH cytochrome P450 reductase	0.0083	0.272	0.6992
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1256	0.2223
Brugia malayi	flavodoxin family protein	0.0032	0.0814	0.1624
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0177
Schistosoma mansoni	terminal deoxycytidyl transferase	0.0023	0.0503	0.1293
Leishmania major	hypothetical protein, conserved	0.0043	0.1256	0.2223
Plasmodium falciparum	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0032	0.0814	0.0037
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0114	0.389	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.0012	0.0089	0.0177
Loa Loa (eye worm)	transcription factor SMAD2	0.0144	0.5014	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0043	0.1256	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0177
Brugia malayi	ecdysteroid receptor	0.0012	0.0089	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0089	0.0177
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.389	1
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0207	0.0413
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0043	0.1256	0.0793
Trypanosoma cruzi	hypothetical protein, conserved	0.0043	0.1256	0.2223
Entamoeba histolytica	type A flavoprotein, putative	0.0032	0.0814	0.0918
Trichomonas vaginalis	sulfite reductase, putative	0.0083	0.272	0.6545
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0177
Schistosoma mansoni	thyroid hormone receptor	0.0012	0.0089	0.0228
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1256	0.2223
Mycobacterium leprae	Probable lipase LipE	0.0043	0.1256	0.5
Mycobacterium ulcerans	beta-lactamase	0.0043	0.1256	0.3396
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.0012	0.0089	0.0177
Loa Loa (eye worm)	ImpB/MucB/SamB family protein	0.0023	0.0503	0.1004
Trypanosoma brucei	flap endonuclease-1 (FEN-1), putative	0.0031	0.0807	0.1569
Schistosoma mansoni	hypothetical protein	0.0015	0.0207	0.0532
Mycobacterium tuberculosis	Probable lipase LipD	0.0043	0.1256	0.0793
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.389	1
Trypanosoma cruzi	cytochrome P450 reductase, putative	0.0083	0.272	0.6545
Schistosoma mansoni	flap endonuclease-1	0.0028	0.0694	0.1785
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.0012	0.0089	0.0177
Leishmania major	NADPH-cytochrome p450 reductase-like protein	0.0083	0.272	0.6545
Trypanosoma brucei	S-adenosyl-L-methionine-dependent tRNA 4-demethylwyosine synthase, putative	0.0032	0.0814	0.1589
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0207	0.0532
Giardia lamblia	Kinase, PLK	0.0114	0.389	1
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0043	0.1256	0.3396
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.0012	0.0089	0.0228
Echinococcus granulosus	GPCR family 2	0.0015	0.0207	0.0532
Schistosoma mansoni	kinase	0.0058	0.1797	0.4619
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.389	1
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0207	0.0413
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Echinococcus granulosus	dna polymerase eta	0.0023	0.0503	0.1293
Trypanosoma brucei	DNA polymerase IV, putative	0.0023	0.0503	0.0738
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0207	0.0532
Trypanosoma brucei	unspecified product	0.0023	0.0503	0.0738
Echinococcus granulosus	dna polymerase kappa	0.0023	0.0503	0.1293
Loa Loa (eye worm)	FAD binding domain-containing protein	0.0051	0.1539	0.3071
Brugia malayi	ImpB/MucB/SamB family protein	0.0023	0.0503	0.1004
Loa Loa (eye worm)	MH2 domain-containing protein	0.0144	0.5014	1
Trypanosoma cruzi	NADPH--cytochrome P450 reductase, putative	0.0032	0.0814	0.0918
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1256	0.2505
Onchocerca volvulus		0.0043	0.1256	0.307
Echinococcus granulosus	NADPH dependent diflavin oxidoreductase 1	0.0083	0.272	0.6992
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.0873	0.1741
Echinococcus multilocularis	NADPH dependent diflavin oxidoreductase 1	0.0083	0.272	0.6992
Schistosoma mansoni	retinoic acid receptor RXR	0.0012	0.0089	0.0228
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.0012	0.0089	0.0228
Mycobacterium tuberculosis	Conserved protein	0.0043	0.1256	0.0793
Loa Loa (eye worm)	hypothetical protein	0.0083	0.272	0.5426
Schistosoma mansoni	NADPH flavin oxidoreductase	0.0042	0.1189	0.3055
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0032	0.0814	0.0918
Schistosoma mansoni	hypothetical protein	0.0033	0.0873	0.2244
Onchocerca volvulus		0.0043	0.1256	0.307
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0055	0.1695	0.338
Loa Loa (eye worm)	beta-lactamase	0.0043	0.1256	0.2505
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.0012	0.0089	0.0228
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.389	1
Trichomonas vaginalis	penicillin-binding protein, putative	0.0043	0.1256	0.2223
Loa Loa (eye worm)	flap endonuclease-1	0.0031	0.0807	0.161
Leishmania major	flap endonuclease-1 (FEN-1), putative	0.0031	0.0807	0.0897
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0207	0.0532
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0032	0.0814	0.0918
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0177
Schistosoma mansoni	coup transcription factor	0.0012	0.0089	0.0228
Mycobacterium tuberculosis	Conserved protein	0.0043	0.1256	0.0793
Mycobacterium ulcerans	hypothetical protein	0.0043	0.1256	0.3396
Plasmodium vivax	NADPH-cytochrome p450 reductase, putative	0.0083	0.272	1
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.0012	0.0089	0.0228
Chlamydia trachomatis	sulfite reductase	0.0051	0.1539	0.5
Echinococcus granulosus	NADPH cytochrome P450 reductase	0.0083	0.272	0.6992
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.389	1
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.0012	0.0089	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0873	0.1741
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0043	0.1256	0.3228
Trichomonas vaginalis	CAMK family protein kinase	0.0056	0.1741	0.3654
Trypanosoma brucei	DNA polymerase kappa, putative	0.0023	0.0503	0.0738
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0055	0.1695	0.338
Plasmodium vivax	hypothetical protein, conserved	0.0032	0.0814	0.0037
Echinococcus granulosus	FTZ F1 alpha	0.0012	0.0089	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1256	0.2505
Schistosoma mansoni	diflavin oxidoreductase	0.0041	0.1165	0.2995
Plasmodium vivax	hypothetical protein, conserved	0.0043	0.1256	0.2347
Loa Loa (eye worm)	steroid hormone receptor	0.0012	0.0089	0.0177
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0043	0.1256	0.3228
Toxoplasma gondii	ABC1 family protein	0.0043	0.1256	1
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.0012	0.0089	0.0177
Brugia malayi	FAD binding domain containing protein	0.0051	0.1539	0.3071
Giardia lamblia	Hypothetical protein	0.0073	0.2369	0.5509
Echinococcus multilocularis	FTZ F1 alpha	0.0012	0.0089	0.0228
Trypanosoma cruzi	Flavodoxin/Radical SAM superfamily/Wyosine base formation, putative	0.0032	0.0814	0.0918
Echinococcus multilocularis	dna polymerase eta	0.0023	0.0503	0.1293
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1256	0.2505
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.0012	0.0089	0.0228
Trypanosoma cruzi	polo-like protein kinase, putative	0.0114	0.389	1
Echinococcus multilocularis	ecdysone induced protein 78C	0.0012	0.0089	0.0228
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1256	0.2223
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1695	0.4356
Brugia malayi	MH2 domain containing protein	0.0144	0.5014	1
Echinococcus granulosus	ecdysone induced protein 78C	0.0012	0.0089	0.0228
Entamoeba histolytica	type A flavoprotein, putative	0.0032	0.0814	0.0918
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0114	0.389	0.776
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0207	0.0532
Brugia malayi	beta-lactamase family protein	0.0043	0.1256	0.2505
Trypanosoma brucei	polo-like protein kinase	0.0114	0.389	1
Mycobacterium tuberculosis	Conserved protein	0.0043	0.1256	0.0793
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0083	0.272	0.68
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.1447	0.2885
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.0012	0.0089	0.0228
Trypanosoma cruzi	p450 reductase, putative	0.0083	0.272	0.6545
Echinococcus multilocularis	thyroid hormone receptor alpha	0.0012	0.0089	0.0228
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.0012	0.0089	0.0228
Echinococcus granulosus	flap endonuclease 1	0.0031	0.0807	0.2074
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.0012	0.0089	0.0177
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0207	0.0413
Plasmodium falciparum	NADPH--cytochrome P450 reductase, putative	0.0032	0.0814	0.0037
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0043	0.1256	0.0793
Schistosoma mansoni	RAR-like nuclear receptor	0.0012	0.0089	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0177
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1695	0.4356
Entamoeba histolytica	type A flavoprotein, putative	0.0032	0.0814	0.0918
Brugia malayi	Nuclear hormone receptor-like 1	0.0012	0.0089	0.0177
Entamoeba histolytica	type A flavoprotein, putative	0.0032	0.0814	0.0918
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.0012	0.0089	0.0228
Loa Loa (eye worm)	hypothetical protein	0.0043	0.1256	0.2505
Trichomonas vaginalis	D-aminoacylase, putative	0.0043	0.1256	0.2223
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.1447	0.2885
Mycobacterium leprae	conserved hypothetical protein	0.0043	0.1256	0.5
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.0012	0.0089	0.0228
Giardia lamblia	Nitric oxide synthase, inducible	0.0073	0.2369	0.5509
Brugia malayi	beta-lactamase family protein	0.0043	0.1256	0.2505
Schistosoma mansoni	nuclear hormone receptor	0.0012	0.0089	0.0228
Trypanosoma brucei	NADPH--cytochrome P450 reductase, putative	0.0083	0.272	0.68
Toxoplasma gondii	flavodoxin domain-containing protein	0.0041	0.1165	0.7975
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.0012	0.0089	0.0177
Schistosoma mansoni	cytochrome P450 reductase	0.0083	0.272	0.6992
Echinococcus granulosus	terminal deoxycytidyl transferase rev1	0.0023	0.0503	0.1293
Echinococcus multilocularis	flap endonuclease 1	0.0031	0.0807	0.2074
Loa Loa (eye worm)	hypothetical protein	0.0012	0.0089	0.0177
Loa Loa (eye worm)	hypothetical protein	0.0023	0.0503	0.1004
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.0012	0.0089	0.0177
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.0012	0.0089	0.0177
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.0012	0.0089	0.0177
Brugia malayi	FAD binding domain containing protein	0.0083	0.272	0.5426
Schistosoma mansoni	hypothetical protein	0.0015	0.0207	0.0532
Schistosoma mansoni	hypothetical protein	0.0015	0.0207	0.0532
Trypanosoma brucei	hypothetical protein, conserved	0.0043	0.1256	0.2797
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.0012	0.0089	0.0228
Leishmania major	p450 reductase, putative	0.0083	0.272	0.6545
Schistosoma mansoni	hypothetical protein	0.0015	0.0207	0.0532
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.0012	0.0089	0.0177
Trichomonas vaginalis	esterase, putative	0.0043	0.1256	0.2223
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0055	0.1695	0.4356
Schistosoma mansoni	steroid hormone receptor ad4bp	0.0012	0.0089	0.0228
Trichomonas vaginalis	flap endonuclease-1, putative	0.0031	0.0807	0.0897
Trypanosoma brucei	DNA polymerase eta, putative	0.0023	0.0503	0.0738
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0114	0.389	1
Mycobacterium ulcerans	formate dehydrogenase H FdhF	0.0083	0.272	1
Brugia malayi	steroid hormone receptor	0.0012	0.0089	0.0177
Brugia malayi	Flap endonuclease-1	0.0031	0.0807	0.161
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.1447	0.2885
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0055	0.1695	0.4356
Brugia malayi	beta-lactamase	0.0043	0.1256	0.2505
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.0012	0.0089	0.0228
Echinococcus multilocularis	terminal deoxycytidyl transferase rev1	0.0023	0.0503	0.1293
Trypanosoma brucei	NADPH-cytochrome p450 reductase, putative	0.0083	0.272	0.68
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0207	0.0413
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.389	1
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0114	0.389	1
Trichomonas vaginalis	CAMK family protein kinase	0.0114	0.389	1
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.0012	0.0089	0.0228
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0032	0.0814	0.0918
Trichomonas vaginalis	NADPH cytochrome P450, putative	0.0032	0.0814	0.0918
Brugia malayi	nuclear hormone receptor	0.0012	0.0089	0.0177
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0055	0.1695	0.4356

Activities

Activity type	Activity value	Assay description	Source	Reference
EC50 (binding)	> 300 um	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of Mex-5 Binding to TCR-2. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)]	ChEMBL.	No reference
EC50 (binding)	> 300 um	PUBCHEM_BIOASSAY: Fluorescent Polarization Homogeneous Dose Response HTS to Identify Inhibitors of POS-1 Binding to mex-3-RNA. (Class of assay: confirmatory) [Related pubchem assays: 1833 (Project Summary), 1832 (Primary HTS)]	ChEMBL.	No reference
IC50 (functional)	= 1.590194 uM	PUBCHEM_BIOASSAY: Image-Based HTS for Selective Antagonists for GPR55. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2026, AID2809, AID2814, AID2815, AID2820, AID2822, AID2835, AID2836, AID485277, AID485278, AID485282, AID485283, AID485285, AID485286, AID485287, AID488947]	ChEMBL.	No reference
Potency (functional)	= 0.3162 um	PUBCHEM_BIOASSAY: qHTS Inhibitors of AmpC Beta-Lactamase (assay with detergent). (Class of assay: confirmatory) [Related pubchem assays: 1002 (Confirmation Concentration-Response Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent)), 585 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay without detergent) - a screen old NIH MLSMR collection), 584 (Promiscuous and Specific Inhibitors of AmpC Beta-Lactamase (assay with detergent) - a screen of the old NIH MLSMR collection), 1003 (Confirmation Cuvette-Based Assay for Inhibitors of AmpC Beta-Lactamase (assay with detergent))]	ChEMBL.	No reference
Potency (functional)	10.4179 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 96 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488745, AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	10.6213 uM	PubChem BioAssay. qHTS for Inhibitors of PLK1-PDB (polo-like kinase 1 - polo-box domain): Primary Screen. (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 Polymerase Iota. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588623]	ChEMBL.	No reference
Potency (functional)	15.8489 uM	PUBCHEM_BIOASSAY: qHTS Assay for the Inhibitors of Human Flap endonuclease 1 (FEN1). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488813]	ChEMBL.	No reference
Potency (functional)	= 17.7828 um	PUBCHEM_BIOASSAY: qHTS for inhibitors of ROR gamma transcriptional activity. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	19.9526 uM	PUBCHEM_BIOASSAY: qHTS for Inhibitors of TGF-b. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID588856, AID588860]	ChEMBL.	No reference
Potency (binding)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Identification of Novel General Anesthetics. In this assay, a GABAergic mimetic model system, apoferritin and a profluorescent 1-aminoanthracene ligand (1-AMA), was used to construct a competitive binding assay for identification of novel general anesthetics (Class of assay: confirmatory) [Related pubchem assays: 2385 (Probe Development Summary for Identification of Novel General Anesthetics), 2323 (Validation apoferritin assay run on SigmaAldrich LOPAC1280 collection)]	ChEMBL.	No reference
Potency (functional)	32.6294 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)	37.933 uM	PUBCHEM_BIOASSAY: qHTS profiling assay for firefly luciferase inhibitor/activator using purified enzyme and Km concentrations of substrates (counterscreen for miR-21 project). (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID2288, AID2289, AID2598, AID411]	ChEMBL.	No reference
Potency (functional)	50.1187 uM	PubChem BioAssay. qHTS of PTHR Inhibitors: Primary Screen. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	70.7946 uM	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Histone Lysine Methyltransferase G9a. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504404]	ChEMBL.	No reference
Potency (functional)	79.4328 uM	PUBCHEM_BIOASSAY: Inhibitors of the vitamin D receptor (VDR): qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504855]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: HTS for Inhibitors of HP1-beta Chromodomain Interactions with Methylated Histone Tails. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488962]	ChEMBL.	No reference
Potency (functional)	89.1251 uM	PUBCHEM_BIOASSAY: Inhibitors of Regulator of G Protein Signaling (RGS) 4: qHTS. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID504856]	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: CHEMBL1598948

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1443987