TDR Targets

Basic information

Technical information

TDR Targets ID: 1397854
Name: 5-[1-(2,3-dihydro-1H-inden-5-ylamino)ethylide ne]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-t rione
MW: 391.42 | Formula: C22H21N3O4
H donors: 2 H acceptors: 3 LogP: 3.58 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: COc1ccc(cc1)N1C(=O)NC(=O)/C(=C(\Nc2ccc3c(c2)CCC3)/C)/C1=O
InChi: 1S/C22H21N3O4/c1-13(23-16-7-6-14-4-3-5-15(14)12-16)19-20(26)24-22(28)25(21(19)27)17-8-10-18(29-2)11-9-17/h6-12,23H,3-5H2,1-2H3,(H,24,26,28)/b19-13+
InChiKey: NGQIELHBMVBRHJ-CPNJWEJPSA-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

5-[1-(indan-5-ylamino)ethylidene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione
5-[1-(5-indanylamino)ethylidene]-1-(4-methoxyphenyl)hexahydropyrimidine-2,4,6-trione
5-[1-(indan-5-ylamino)ethylidene]-1-(4-methoxyphenyl)barbituric acid
ZINC05028969
STOCK4S-06108
5-[1-(Indan-5-ylamino)-eth-(E)-ylidene]-1-(4-methoxy-phenyl)-pyrimidine-2,4,6-trione
MLS000333223
SMR000436579

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	GNAS complex locus	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Schistosoma japonicum	ko:K04632 guanine nucleotide binding protein (G protein), alpha stimulating, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	Get druggable targets OG5_131088	All targets in OG5_131088
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	Get druggable targets OG5_131088	All targets in OG5_131088
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	Get druggable targets OG5_131088	All targets in OG5_131088
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
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
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	Get druggable targets OG5_126638	All targets in OG5_126638
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	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	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Schistosoma mansoni	GTP-binding protein alpha subunit gna	GNAS complex locus	394 aa	450 aa	28.7 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Schistosoma mansoni	hypothetical protein	0.0693	0.1894	0.372
Brugia malayi	Heterochromatin protein 1	0.0068	0.0123	0.0241
Echinococcus multilocularis	GPCR, family 2	0.0048	0.0065	0.0127
Leishmania major	aldehyde reductase, putative,oxidoreductase, putative	0.0062	0.0104	0.0204
Echinococcus granulosus	carbonic anhydrase	0.1155	0.3204	0.6294
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0036	0.003	0.0058
Loa Loa (eye worm)	hypothetical protein	0.0089	0.018	0.018
Entamoeba histolytica	hypothetical protein	0.0089	0.0181	1
Loa Loa (eye worm)	hypothetical protein	0.0104	0.0223	0.0223
Schistosoma mansoni	plexin	0.0034	0.0024	0.0048
Echinococcus multilocularis	aldo keto reductase	0.0062	0.0104	0.0204
Schistosoma mansoni	rab6-interacting	0.0042	0.0047	0.0093
Echinococcus granulosus	hypothetical protein	0.0062	0.0104	0.0204
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Mycobacterium ulcerans	recombinase A	0.0108	0.0234	0.2288
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.0047	0.0093
Loa Loa (eye worm)	plexin A	0.004	0.0042	0.0042
Loa Loa (eye worm)	hypothetical protein	0.0062	0.0104	0.0104
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0104	0.0104
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.0563	0.1086
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0028	0.0396
Echinococcus multilocularis	carbonic anhydrase	0.1155	0.3204	0.6294
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0137	0.022
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0028	0.0055
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0028	0.0396
Echinococcus multilocularis	muscleblind protein	0.0294	0.0763	0.15
Brugia malayi	chromobox protein homolog 3	0.0038	0.0038	0.0074
Echinococcus multilocularis	RUN	0.0042	0.0047	0.0093
Schistosoma mansoni	hypothetical protein	0.0104	0.0223	0.0438
Plasmodium vivax	multidomain scavenger receptor, putative	0.0042	0.0047	0.2854
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0183	0.0448	0.088
Mycobacterium leprae	Conserved hypothetical protein	0.0632	0.1721	1
Echinococcus granulosus	Polycystic kidney disease protein	0.0042	0.0047	0.0093
Schistosoma mansoni	serine/threonine protein kinase	0.0089	0.0181	0.0356
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0028	0.0055
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0188	0.0369
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0048	0.0065	0.0127
Trypanosoma brucei	carbonic anhydrase-like protein	0.1821	0.5091	1
Entamoeba histolytica	aldose reductase, putative	0.0062	0.0104	0.5718
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0048	0.0065	0.0065
Trypanosoma cruzi	DNA repair protein, putative	0.0033	0.0023	0.0045
Brugia malayi	latrophilin 2 splice variant baaae	0.0104	0.0223	0.0438
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0062	0.0104	0.1463
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Brugia malayi	hypothetical protein	0.0245	0.0625	0.1227
Loa Loa (eye worm)	carbonic anhydrase 3	0.1821	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0267	0.0267
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0104	0.0104
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0029	0.0011	0.0638
Schistosoma mansoni	carbonic anhydrase	0.1155	0.3204	0.6294
Brugia malayi	Doublecortin family protein	0.0042	0.0047	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0294	0.0763	0.0763
Echinococcus granulosus	aldo keto reductase	0.0062	0.0104	0.0204
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0104	0.0204
Mycobacterium tuberculosis	Probable flavin-containing monoamine oxidase AofH (amine oxidase) (MAO)	0.0328	0.0859	0.1686
Echinococcus granulosus	ATP dependent Clp protease proteolytic subunit	0.0084	0.0166	0.0327
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.0047	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0048	0.0065	0.0065
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0123	0.0241
Onchocerca volvulus		0.0062	0.0104	0.3552
Leishmania major	serine/threonine-protein kinase, putative,protein kinase, putative	0.0089	0.0181	0.0356
Toxoplasma gondii	hypothetical protein	0.1155	0.3204	1
Entamoeba histolytica	aldose reductase, putative	0.0062	0.0104	0.5718
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0062	0.0104	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0047	0.0047
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0188	0.0369
Trichomonas vaginalis	glutaminase, putative	0.0275	0.0709	1
Schistosoma mansoni	rab6-interacting	0.0042	0.0047	0.0093
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1821	0.5091	1
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1155	0.3204	0.6294
Schistosoma mansoni	aldo-keto reductase	0.0062	0.0104	0.0204
Onchocerca volvulus		0.0034	0.0024	0.0414
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0038	0.053
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0062	0.0104	0.0204
Trichomonas vaginalis	aldo/keto reductase, putative	0.0062	0.0104	0.1463
Echinococcus multilocularis	muscleblind protein 1	0.0294	0.0763	0.15
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0036	0.003	0.0058
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0137	0.1206
Echinococcus multilocularis	aldo keto reductase	0.0062	0.0104	0.0204
Leishmania major	hypothetical protein, conserved	0.0035	0.0028	0.0055
Loa Loa (eye worm)	hypothetical protein	0.0089	0.018	0.018
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0048	0.0065	0.0127
Entamoeba histolytica	hypothetical protein	0.0036	0.003	0.1638
Loa Loa (eye worm)	heterochromatin protein 1	0.0068	0.0123	0.0123
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 2 CLPP2 (ENDOPEPTIDASE CLP 2)	0.0084	0.0166	0.0911
Echinococcus multilocularis	aldehyde reductase	0.0044	0.0053	0.0104
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1821	0.5091	1
Trypanosoma cruzi	aldo-keto reductase	0.0062	0.0104	0.0204
Brugia malayi	Latrophilin receptor protein 2	0.0048	0.0065	0.0127
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0028	0.0028
Echinococcus granulosus	GPCR family 2	0.0048	0.0065	0.0127
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0028	0.0396
Schistosoma mansoni	hypothetical protein	0.1155	0.3204	0.6294
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0137	0.0427
Echinococcus multilocularis	carbonic anhydrase	0.1155	0.3204	0.6294
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0089	0.0181	0.0356
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.0166	0.0519
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1155	0.3204	0.6294
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0104	0.0204
Schistosoma mansoni	transcription factor LCR-F1	0.0036	0.003	0.0058
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0104	0.0204
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0048	0.0065	0.0127
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0029	0.0011	0.0033
Loa Loa (eye worm)	hypothetical protein	0.0038	0.0038	0.0038
Brugia malayi	hypothetical protein	0.0042	0.0047	0.0093
Plasmodium vivax	ATP-dependent Clp protease proteolytic subunit, putative	0.0084	0.0166	1
Onchocerca volvulus		0.0035	0.0028	0.0554
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0104	0.0104
Echinococcus granulosus	chromobox protein 1	0.0068	0.0123	0.0241
Brugia malayi	hypothetical protein	0.0119	0.0267	0.0524
Schistosoma mansoni	lipoxygenase	0.0183	0.0448	0.088
Schistosoma mansoni	hypothetical protein	0.0036	0.003	0.0058
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0042	0.0047	0.0093
Echinococcus granulosus	aldo keto reductase	0.0062	0.0104	0.0204
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0028	0.0102
Schistosoma mansoni	polycystin 1-related	0.0042	0.0047	0.0093
Mycobacterium ulcerans	oxidoreductase	0.0062	0.0104	0.084
Plasmodium falciparum	carbonic anhydrase	0.1155	0.3204	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Treponema pallidum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0166	0.6963
Trichomonas vaginalis	aldo/keto reductase, putative	0.0062	0.0104	0.1463
Echinococcus granulosus	carbonic anhydrase	0.1155	0.3204	0.6294
Schistosoma mansoni	aldo-keto reductase	0.0062	0.0104	0.0204
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0104	0.0104
Mycobacterium leprae	PROBABLE OXIDOREDUCTASE	0.0062	0.0104	0.0545
Entamoeba histolytica	hypothetical protein	0.0036	0.003	0.1638
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0091	0.0188	0.0188
Loa Loa (eye worm)	oxidoreductase	0.0062	0.0104	0.0104
Brugia malayi	Putative carbonic anhydrase 5 precursor	0.1821	0.5091	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0137	0.0268
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0028	0.0055
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0062	0.0104	0.0204
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0152	0.0359	0.0359
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0062	0.0104	0.1463
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0048	0.0065	0.0127
Brugia malayi	Protein kinase domain containing protein	0.0089	0.0181	0.0356
Giardia lamblia	Aldose reductase	0.0062	0.0104	1
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0137	0.0268
Loa Loa (eye worm)	hypothetical protein	0.1155	0.3204	0.3204
Schistosoma mansoni	microtubule-associated protein tau	0.0833	0.2292	0.4501
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0046	0.0646
Schistosoma mansoni	lipoxygenase	0.0108	0.0235	0.0461
Trypanosoma brucei	recA bacterial DNA recombination protein, putative	0.0033	0.0023	0.0045
Wolbachia endosymbiont of Brugia malayi	recombinase A	0.0108	0.0234	1
Onchocerca volvulus		0.0042	0.0047	0.1324
Echinococcus multilocularis	survival motor neuron protein 1	0.0245	0.0625	0.1227
Chlamydia trachomatis	recombinase RecA	0.0108	0.0234	1
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0137	0.0268
Trichomonas vaginalis	chromobox protein, putative	0.0041	0.0046	0.0646
Schistosoma mansoni	peptidase Clp (S14 family)	0.0084	0.0166	0.0327
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0137	0.1206
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1155	0.3204	0.3204
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0028	0.1686
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0006	0.0081
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0028	0.0396
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0166	0.1535
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0188	0.0369
Trypanosoma cruzi	CMGC/DYRK protein kinase, putative	0.0089	0.0181	0.0356
Trichomonas vaginalis	conserved hypothetical protein	0.0038	0.0038	0.053
Schistosoma mansoni	loxhd1	0.0042	0.0047	0.0093
Echinococcus multilocularis	aldo keto reductase	0.0062	0.0104	0.0204
Trichomonas vaginalis	dihydrodiol dehydrogenase, putative	0.0062	0.0104	0.1463
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1155	0.3204	0.6294
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 2 ClpP2 (endopeptidase CLP 2)	0.0055	0.0084	0.0115
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Loa Loa (eye worm)	eukaryotic-type carbonic anhydrase	0.1821	0.5091	0.5091
Loa Loa (eye worm)	hypothetical protein	0.1155	0.3204	0.3204
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0267	1
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0104	0.0204
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0028	0.0055
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0104	0.0204
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0028	0.0028
Mycobacterium tuberculosis	Probable replicative DNA helicase DnaB	0.1665	0.4651	0.938
Trypanosoma brucei	aldo-keto reductase, putative	0.0062	0.0104	0.0204
Echinococcus granulosus	muscleblind protein	0.0294	0.0763	0.15
Echinococcus multilocularis	chromobox protein 1	0.0068	0.0123	0.0241
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0104	0.0204
Onchocerca volvulus	Huntingtin homolog	0.0119	0.0267	1
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Leishmania major	carbonic anhydrase-like protein	0.1821	0.5091	1
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0038	0.0038	0.0931
Mycobacterium leprae	RECA PROTEIN (RECOMBINASE A) [CONTAINS: Mle RECA INTEIN].	0.0108	0.0234	0.1308
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0137	0.1206
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Mycobacterium ulcerans	glutaminase	0.0275	0.0709	0.7555
Loa Loa (eye worm)	glutaminase 2	0.0275	0.0709	0.0709
Entamoeba histolytica	protein kinase, putative	0.0089	0.0181	1
Echinococcus multilocularis	aldo keto reductase	0.0062	0.0104	0.0204
Mycobacterium ulcerans	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0166	0.1535
Leishmania major	aldo-keto reductase-like protein	0.0062	0.0104	0.0204
Echinococcus multilocularis	dual specificity	0.0089	0.0181	0.0356
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0028	0.0396
Schistosoma mansoni	chromobox protein	0.0068	0.0123	0.0241
Echinococcus granulosus	aldehyde reductase	0.0044	0.0053	0.0104
Brugia malayi	Probable ClpP-like protease	0.0084	0.0166	0.0327
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0188	0.0369
Brugia malayi	plexin A	0.004	0.0042	0.0083
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0028	0.0055
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Onchocerca volvulus		0.0062	0.0104	0.3552
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1821	0.5091	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0091	0.0188	0.0369
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0028	0.0028
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Brugia malayi	hypothetical protein	0.0036	0.003	0.0058
Onchocerca volvulus		0.0035	0.0028	0.0554
Brugia malayi	oxidoreductase, aldo/keto reductase family protein	0.0062	0.0104	0.0204
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0104	0.0204
Echinococcus granulosus	plexin a4	0.004	0.0042	0.0083
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Onchocerca volvulus		0.0062	0.0104	0.3552
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0152	0.0359	0.0705
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0353	0.0929	1
Mycobacterium ulcerans	hypothetical protein	0.0108	0.0236	0.2309
Loa Loa (eye worm)	CMGC/DYRK/DYRK1 protein kinase	0.0089	0.0181	0.0181
Echinococcus multilocularis	peptidase Clp (S14 family)	0.0055	0.0084	0.0166
Schistosoma mansoni	hypothetical protein	0.0048	0.0065	0.0127
Plasmodium falciparum	LCCL domain-containing protein	0.0042	0.0047	0.0148
Brugia malayi	hypothetical protein	0.0042	0.0047	0.0093
Mycobacterium ulcerans	flavin-containing monoamine oxidase AofH	0.0353	0.0929	1
Trypanosoma cruzi	carbonic anhydrase-like protein, putative	0.1821	0.5091	1
Echinococcus granulosus	dual specificity	0.0089	0.0181	0.0356
Entamoeba histolytica	hypothetical protein	0.0036	0.003	0.1638
Toxoplasma gondii	ATP-dependent Clp endopeptidase, proteolytic subunit ClpP domain-containing protein	0.0084	0.0166	0.0519
Echinococcus multilocularis	carbonic anhydrase	0.1155	0.3204	0.6294
Echinococcus granulosus	chromobox protein 1	0.0068	0.0123	0.0241
Schistosoma mansoni	pol-related	0.0062	0.0104	0.0204
Mycobacterium tuberculosis	RecA protein (recombinase A) [contains: endonuclease PI-MTUI (MTU RecA intein)].	0.1773	0.4956	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0028	0.0028
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0152	0.0359	0.0705
Echinococcus multilocularis	microtubule associated protein 2	0.0833	0.2292	0.4501
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0028	0.0055
Onchocerca volvulus		0.0035	0.0028	0.0554
Toxoplasma gondii	hypothetical protein	0.0029	0.0011	0.0033
Brugia malayi	Carbonic anhydrase like protein 2 precursor	0.1155	0.3204	0.6294
Schistosoma mansoni	hypothetical protein	0.005	0.0071	0.0139
Brugia malayi	Plexin repeat family protein	0.0034	0.0024	0.0048
Mycobacterium tuberculosis	Probable ATP-dependent CLP protease proteolytic subunit 1 ClpP1 (endopeptidase CLP)	0.0055	0.0084	0.0115
Loa Loa (eye worm)	doublecortin family protein	0.0042	0.0047	0.0047
Trypanosoma brucei	prostaglandin f synthase	0.0062	0.0104	0.0204
Onchocerca volvulus		0.0042	0.0047	0.1324
Toxoplasma gondii	ABC1 family protein	0.0035	0.0028	0.0087
Entamoeba histolytica	aldose reductase, putative	0.0062	0.0104	0.5718
Onchocerca volvulus		0.0062	0.0104	0.3552
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0123	0.1733
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0104	0.0204
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0183	0.0448	0.088
Brugia malayi	Muscleblind-like protein	0.0294	0.0763	0.15
Schistosoma mansoni	carbonic anhydrase-related	0.1155	0.3204	0.6294
Schistosoma mansoni	hypothetical protein	0.0048	0.0065	0.0127
Treponema pallidum	recombinase A	0.0108	0.0234	1
Brugia malayi	beta-lactamase family protein	0.0035	0.0028	0.0055
Echinococcus granulosus	carbonic anhydrase II	0.1821	0.5091	1
Giardia lamblia	Aldose reductase	0.0062	0.0104	1
Loa Loa (eye worm)	glutaminase	0.0275	0.0709	0.0709
Echinococcus granulosus	aldo keto reductase family 1 member B4	0.0062	0.0104	0.0204
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0091	0.0188	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0084	0.0166	0.0166
Echinococcus granulosus	peptidase Clp S14 family	0.0055	0.0084	0.0166
Loa Loa (eye worm)	hypothetical protein	0.0294	0.0763	0.0763
Plasmodium falciparum	ATP-dependent Clp protease proteolytic subunit	0.0084	0.0166	0.0519
Loa Loa (eye worm)	hypothetical protein	0.0034	0.0024	0.0024
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0028	0.0055
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0137	0.0268
Echinococcus granulosus	microtubule associated protein 2	0.0833	0.2292	0.4501
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.005	0.0071	0.0139
Schistosoma mansoni	hypothetical protein	0.0693	0.1894	0.372
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Toxoplasma gondii	aldose reductase, putative	0.0062	0.0104	0.0324
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0028	0.0028
Mycobacterium leprae	PROBABLE ATP-DEPENDENT CLP PROTEASE PROTEOLYTIC SUBUNIT 1 CLPP1 (ENDOPEPTIDASE CLP)	0.0055	0.0084	0.0432
Schistosoma mansoni	hypothetical protein	0.0042	0.0047	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0028	0.0028
Onchocerca volvulus		0.005	0.0071	0.2244
Trichomonas vaginalis	esterase, putative	0.0035	0.0028	0.0396
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Echinococcus multilocularis	ATP dependent Clp protease proteolytic subunit	0.0084	0.0166	0.0327
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Trichomonas vaginalis	chromobox protein, putative	0.0068	0.0123	0.1733
Schistosoma mansoni	hypothetical protein	0.0048	0.0065	0.0127
Schistosoma mansoni	chromobox protein	0.0068	0.0123	0.0241
Echinococcus granulosus	survival motor neuron protein 1	0.0245	0.0625	0.1227
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0091	0.0188	0.0369
Loa Loa (eye worm)	hypothetical protein	0.0119	0.0267	0.0267
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0028	0.0102
Loa Loa (eye worm)	hypothetical protein	0.003	0.0014	0.0014
Entamoeba histolytica	hypothetical protein	0.0036	0.003	0.1638
Schistosoma mansoni	survival motor neuron protein	0.005	0.0071	0.0139
Trypanosoma brucei	CMGC/DYRK protein kinase, putative	0.0089	0.0181	0.0356
Trypanosoma cruzi	DNA repair protein, putative	0.0033	0.0023	0.0045
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0028	0.0055
Echinococcus granulosus	geminin	0.0693	0.1894	0.372
Onchocerca volvulus	Heterochromatin protein 1 homolog	0.0041	0.0046	0.1258
Onchocerca volvulus		0.0062	0.0104	0.3552
Brugia malayi	Eukaryotic-type carbonic anhydrase family protein	0.1155	0.3204	0.6294
Echinococcus multilocularis	plexin a4	0.004	0.0042	0.0083
Schistosoma mansoni	glutaminase	0.0275	0.0709	0.1392
Entamoeba histolytica	protein kinase domain containing protein	0.0089	0.0181	1
Loa Loa (eye worm)	hypothetical protein	0.0152	0.0359	0.0359
Schistosoma mansoni	hypothetical protein	0.0048	0.0065	0.0127
Brugia malayi	beta-lactamase	0.0035	0.0028	0.0055
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Trypanosoma cruzi	aldo/keto reductase, putative	0.0062	0.0104	0.0204
Echinococcus multilocularis	carbonic anhydrase II	0.1821	0.5091	1
Echinococcus multilocularis	geminin	0.0693	0.1894	0.372
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Schistosoma mansoni	carbonic anhydrase II (carbonate dehydratase II)	0.1821	0.5091	1
Schistosoma mansoni	carbonic anhydrase-related	0.1155	0.3204	0.6294
Echinococcus granulosus	aldo keto reductase	0.0062	0.0104	0.0204
Brugia malayi	beta-lactamase family protein	0.0035	0.0028	0.0055
Echinococcus granulosus	lipoxygenase domain containing protein	0.0042	0.0047	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0245	0.0625	0.0625
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0137	0.0268
Trichomonas vaginalis	aldo-keto reductase, putative	0.0062	0.0104	0.1463
Trichomonas vaginalis	conserved hypothetical protein	0.0027	0.0006	0.0081
Echinococcus multilocularis	Polycystic kidney disease protein	0.0042	0.0047	0.0093
Echinococcus granulosus	RUN	0.0042	0.0047	0.0093
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0047	0.0047
Mycobacterium tuberculosis	Probable oxidoreductase	0.0062	0.0104	0.0154
Leishmania major	prostaglandin f2-alpha synthase/D-arabinose dehydrogenase	0.0062	0.0104	0.0204
Leishmania major	prostaglandin f synthase, putative	0.0062	0.0104	0.0204
Echinococcus granulosus	carbonic anhydrase	0.1155	0.3204	0.6294
Echinococcus multilocularis	aldo keto reductase family 1, member B4	0.0062	0.0104	0.0204
Schistosoma mansoni	carbonic anhydrase-related	0.1155	0.3204	0.6294
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0028	0.0028
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0048	0.0065	0.0127
Entamoeba histolytica	protein kinase, putative	0.0089	0.0181	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0028	0.0028
Trichomonas vaginalis	aldo/keto reductase, putative	0.0062	0.0104	0.1463
Brugia malayi	glutaminase DH11.1	0.0275	0.0709	0.1392
Onchocerca volvulus		0.0062	0.0104	0.3552
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0091	0.0188	0.0369
Mycobacterium leprae	Conserved hypothetical protein	0.0044	0.0053	0.0248

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	2.3323 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)	= 4.4668 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Aldehyde Dehydrogenase 1 (ALDH1A1). (Class of assay: confirmatory) [Related pubchem assays: 1030 (qHTS Validation Assay for Inhibitors of aldehyde dehydrogenase 1 (ALDH1A1))]	ChEMBL.	No reference
Potency (functional)	6.3096 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)	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 (binding)	= 14.1254 um	PUBCHEM_BIOASSAY: qHTS for Inhibitors of Tau Fibril Formation, Thioflavin T Binding. (Class of assay: confirmatory) [Related pubchem assays: 596 ]	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
Homo sapiens	ChEMBL23
Plasmodium falciparum	ChEMBL23

Many chemical entities in TDR Targets come from high-throughput screenings with whole cells or tissue samples, and not all assayed compounds have been tested against a single a single target protein, probably because they get ruled out during screening process. Even if these compounds may have not been of interest in the original screening, they may come as interesting leads for other screening assays. Furthermore, we may be able to propose drug-target associations using chemical similarities and network patterns.

Annotated phenotypes:

We have no manually annotated phenotypes for this drug. What does this mean? / Care to help?

In TDR Targets, information about phenotypes that are caused by drugs, or by genetic manipulation of cells (e.g. gene knockouts or knockdowns) is manually curated from the literature. These descriptions help to describe the potential of the target for drug development. If no information is available for this gene or if the information is incomplete, this may mean that i) the papers containing this information either appeared after the curation effort for this organism was carried out or they were inadvertently missed by curators; or that ii) the curation effort for this organism has not yet started.

In any case, if you have information about papers containing relevant validation data for this target, please log in using your TDR Targets username and password and send them to us using the corresponding form in this page (only visible to registered users) or contact us.

External resources for this compound

ChEMBL: CHEMBL1522325

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1397854