TDR Targets

Basic information

Technical information

TDR Targets ID: 1287632
Name: 7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoetho xy]-4-methylchromen-2-one
MW: 349.38 | Formula: C21H19NO4
H donors: 0 H acceptors: 2 LogP: 3.27 Rotable bonds: 4
Rule of 5 violations (Lipinski): 1
SMILES: O=C(N1CCCc2c1cccc2)COc1ccc2c(c1)oc(=O)cc2C
InChi: 1S/C21H19NO4/c1-14-11-21(24)26-19-12-16(8-9-17(14)19)25-13-20(23)22-10-4-6-15-5-2-3-7-18(15)22/h2-3,5,7-9,11-12H,4,6,10,13H2,1H3
InChiKey: MMUIUCOFDBGFTE-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

7-[2-(3,4-Dihydro-2H-quinolin-1-yl)-2-oxo-ethoxy]-4-methyl-chromen-2-one
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]-4-methyl-2-chromenone
7-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-keto-ethoxy]-4-methyl-coumarin
BAS 03108607
T0509-5098
ZINC00420320
Oprea1_864787
MLS000048864
SMR000061563

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	hydroxyprostaglandin dehydrogenase 15-(NAD)	Starlite/ChEMBL	No references
Homo sapiens	euchromatic histone-lysine N-methyltransferase 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)	pre-SET domain-containing protein family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Trichomonas vaginalis	set domain proteins, putative	Get druggable targets OG5_131470	All targets in OG5_131470
Brugia malayi	Pre-SET motif family protein	Get druggable targets OG5_131470	All targets in OG5_131470
Onchocerca volvulus		Get druggable targets OG5_131470	All targets in OG5_131470

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Plasmodium falciparum	steroid dehydrogenase, putative	hydroxyprostaglandin dehydrogenase 15-(NAD)	266 aa	216 aa	22.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Brugia malayi	serine/threonine-protein kinase plk-2	0.0092	0.1119	0.174
Schistosoma mansoni	hypothetical protein	0.0041	0.0372	0.0342
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.0898	0.1905
Brugia malayi	Inositol-1	0.0039	0.0351	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0898	0.1396
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0351	0.2254
Mycobacterium tuberculosis	Conserved protein	0.0077	0.0898	0.0917
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4172	1
Echinococcus multilocularis	lamin dm0	0.0028	0.0188	0.0157
Schistosoma mansoni	sex comb on midleg homolog	0.0094	0.1153	0.1125
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.1119	1
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0491	0.6908	1
Treponema pallidum	fructose-bisphosphate aldolase	0.0303	0.4172	0.5
Echinococcus multilocularis	geminin	0.0332	0.4599	0.4582
Loa Loa (eye worm)	hypothetical protein	0.0042	0.0394	0.0612
Trichomonas vaginalis	conserved hypothetical protein	0.0042	0.0394	0.0659
Echinococcus granulosus	inositol monophosphatase 1	0.0039	0.0351	0.032
Schistosoma mansoni	hypothetical protein	0.0041	0.0372	0.0342
Mycobacterium leprae	Probable lipase LipE	0.0077	0.0898	0.3709
Echinococcus granulosus	expressed conserved protein	0.0092	0.1121	0.1093
Brugia malayi	hypothetical protein	0.0231	0.3129	0.4863
Echinococcus granulosus	GPCR family 2	0.0081	0.0963	0.0934
Schistosoma mansoni	hypothetical protein	0.0176	0.2332	0.2308
Onchocerca volvulus	Polycomb protein Sfmbt homolog	0.0094	0.1153	0.2213
Echinococcus granulosus	lamin	0.0028	0.0188	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0328	0.4548	0.7069
Echinococcus multilocularis	snurportin 1	0.0345	0.4785	0.4769
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0081	0.0963	0.0934
Loa Loa (eye worm)	follicle stimulating hormone receptor	0.0458	0.6434	1
Brugia malayi	mbt repeat family protein	0.0094	0.1153	0.1793
Brugia malayi	CHE-14 protein	0.0042	0.0394	0.0612
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0081	0.0963	0.1496
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0077	0.0898	0.0917
Echinococcus multilocularis	expressed conserved protein	0.0092	0.1121	0.1093
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0035	0.0286	0.0256
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0024	0.0127	0.0096
Echinococcus granulosus	sterol regulatory element binding protein	0.0042	0.0394	0.0364
Entamoeba histolytica	serine/threonine protein kinase, putative	0.0092	0.1119	0.2452
Onchocerca volvulus		0.0286	0.3933	0.8589
Mycobacterium tuberculosis	Probable hydrolase	0.0077	0.0898	0.0917
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0036	0.0306	0.0275
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.052	0.3954
Echinococcus multilocularis	lamin	0.0028	0.0188	0.0157
Mycobacterium tuberculosis	Probable lipase LipD	0.0077	0.0898	0.0917
Loa Loa (eye worm)	intermediate filament tail domain-containing protein	0.0028	0.0188	0.0293
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0251	0.3429	0.533
Schistosoma mansoni	transcription factor LCR-F1	0.0038	0.0331	0.03
Schistosoma mansoni	scm-relatedprotein containing 4 mbt domains (sfmbt)	0.0094	0.1153	0.1125
Schistosoma mansoni	hypothetical protein	0.0038	0.0331	0.03
Echinococcus multilocularis	protein patched	0.0042	0.0394	0.0364
Echinococcus granulosus	beta LACTamase domain containing family member	0.0077	0.0898	0.0869
Echinococcus granulosus	serine:threonine protein kinase PLK1	0.0092	0.1119	0.1091
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0077	0.0898	0.157
Echinococcus multilocularis	endonuclease exonuclease phosphatase	0.0372	0.5185	0.5169
Brugia malayi	hypothetical protein	0.0328	0.4548	0.7069
Loa Loa (eye worm)	hypothetical protein	0.0108	0.1343	0.2088
Schistosoma mansoni	hypothetical protein	0.0041	0.0372	0.0342
Loa Loa (eye worm)	hypothetical protein	0.0051	0.052	0.0808
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0351	0.0553
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0351	0.2254
Echinococcus multilocularis	importin subunit beta 1	0.0032	0.0251	0.022
Echinococcus granulosus	snurportin 1	0.0345	0.4785	0.4769
Mycobacterium tuberculosis	Probable esterase LipL	0.0077	0.0898	0.0917
Schistosoma mansoni	hypothetical protein	0.0081	0.0963	0.0934
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.052	1
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1119	0.2452
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1119	0.2452
Echinococcus multilocularis	serine:threonine protein kinase PLK1	0.0092	0.1119	0.1091
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0306	0.0275
Schistosoma mansoni	ran	0.0024	0.0127	0.0096
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.0898	0.7768
Trypanosoma cruzi	hypothetical protein, conserved	0.0077	0.0898	0.7768
Loa Loa (eye worm)	hypothetical protein	0.0231	0.3129	0.4863
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0303	0.4172	1
Toxoplasma gondii	HEAT repeat-containing protein	0.0032	0.0251	0.1606
Brugia malayi	Importin beta-1 subunit	0.0032	0.0251	0.039
Loa Loa (eye worm)	hypothetical protein	0.0081	0.0963	0.1496
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0257	0.3512	0.5459
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0234	0.3179	0.3157
Entamoeba histolytica	fructose-1,6-bisphosphate aldolase, putative	0.0303	0.4172	1
Mycobacterium tuberculosis	Probable lipase LipE	0.0077	0.0898	0.0917
Schistosoma mansoni	hypothetical protein	0.0081	0.0963	0.0934
Echinococcus multilocularis	histone acetyltransferase MYST2	0.0108	0.1343	0.1316
Plasmodium vivax	hypothetical protein, conserved	0.0077	0.0898	1
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0251	0.1247
Mycobacterium ulcerans	lipase LipD	0.0077	0.0898	0.157
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0081	0.0963	0.1496
Onchocerca volvulus		0.0047	0.0465	0.0634
Brugia malayi	Niemann-Pick C1 protein precursor	0.0098	0.1208	0.1877
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0898	0.1396
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1119	0.2452
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4172	1
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0039	0.0351	0.2901
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0351	0.032
Echinococcus multilocularis	SAM and MBT domain containing protein	0.0094	0.1153	0.1125
Loa Loa (eye worm)	transcription factor SMAD2	0.0252	0.3436	0.5341
Toxoplasma gondii	histone lysine methyltransferase SET/SUV39	0.0036	0.0306	0.2312
Mycobacterium ulcerans	esterase/lipase LipP	0.0077	0.0898	0.157
Leishmania major	hypothetical protein, conserved	0.0051	0.052	0.3954
Loa Loa (eye worm)	PLK/PLK1 protein kinase	0.0092	0.1119	0.174
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0898	0.1396
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1119	0.2452
Echinococcus granulosus	SAM and MBT domain containing protein	0.0094	0.1153	0.1125
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0039	0.0351	0.5
Trichomonas vaginalis	inositol monophosphatase, putative	0.0039	0.0351	0.0553
Onchocerca volvulus		0.0036	0.0306	0.0269
Schistosoma mansoni	lamin	0.0028	0.0188	0.0157
Loa Loa (eye worm)	intermediate filament protein	0.0028	0.0188	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0898	0.1396
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0444	0.0783
Leishmania major	importin beta-1 subunit, putative	0.0026	0.0163	0.0354
Loa Loa (eye worm)	Smad1	0.0017	0.0031	0.0049
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0234	0.3179	0.3157
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4172	1
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0081	0.0963	0.0934
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1119	0.2452
Schistosoma mansoni	hypothetical protein	0.0081	0.0963	0.0934
Loa Loa (eye worm)	hypothetical protein	0.0094	0.1153	0.1793
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0234	0.3179	0.3157
Loa Loa (eye worm)	hypothetical protein	0.0257	0.3512	0.5459
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0163	0.0087
Brugia malayi	C2-HC type zinc finger protein C.e-MyT1	0.0108	0.1343	0.2088
Mycobacterium ulcerans	hypothetical protein	0.0077	0.0898	0.157
Schistosoma mansoni	patched 1	0.0042	0.0394	0.0364
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0234	0.3179	0.3157
Mycobacterium tuberculosis	Probable fructose-bisphosphate aldolase Fba	0.0148	0.1927	0.2471
Leishmania major	hypothetical protein, conserved	0.0077	0.0898	0.7768
Mycobacterium leprae	conserved hypothetical protein	0.0077	0.0898	0.3709
Schistosoma mansoni	hypothetical protein	0.0332	0.4599	0.4582
Schistosoma mansoni	hypothetical protein	0.0047	0.0465	0.0435
Trichomonas vaginalis	glutaminase, putative	0.0279	0.3835	0.9168
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0898	0.1396
Echinococcus multilocularis	GPCR, family 2	0.0081	0.0963	0.0934
Brugia malayi	MH2 domain containing protein	0.0017	0.0031	0.0049
Schistosoma mansoni	glutaminase	0.0279	0.3835	0.3816
Echinococcus multilocularis	protein dispatched 1	0.0048	0.048	0.045
Brugia malayi	beta-lactamase family protein	0.0077	0.0898	0.1396
Entamoeba histolytica	hypothetical protein	0.0038	0.0331	0.0503
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.052	0.3954
Mycobacterium tuberculosis	Conserved protein	0.0077	0.0898	0.0917
Schistosoma mansoni	myelin transcription factor 1 myt1	0.0108	0.1343	0.1316
Brugia malayi	follicle stimulating hormone receptor	0.0458	0.6434	1
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0077	0.0898	0.1396
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0077	0.0898	0.0869
Plasmodium vivax	SET domain protein, putative	0.0036	0.0306	0.2312
Giardia lamblia	Fructose-bisphosphate aldolase	0.0303	0.4172	1
Schistosoma mansoni	serine/threonine protein kinase	0.0092	0.1119	0.1091
Loa Loa (eye worm)	hypothetical protein	0.0027	0.0181	0.0281
Echinococcus granulosus	polycomb protein SCMH1	0.0094	0.1153	0.1125
Onchocerca volvulus		0.0077	0.0898	0.1627
Brugia malayi	Iron-sulfur cluster assembly accessory protein	0.0047	0.0465	0.0723
Brugia malayi	latrophilin 2 splice variant baaae	0.0176	0.2332	0.3625
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0036	0.0306	0.0275
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4172	1
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0113	0.0082
Brugia malayi	hypothetical protein	0.0051	0.052	0.0808
Brugia malayi	MH2 domain containing protein	0.0252	0.3436	0.5341
Brugia malayi	beta-lactamase family protein	0.0077	0.0898	0.1396
Onchocerca volvulus	Serine\/threonine kinase homolog	0.0092	0.1119	0.2135
Loa Loa (eye worm)	abnormal chemotaxis protein 14	0.0042	0.0394	0.0612
Entamoeba histolytica	hypothetical protein	0.0038	0.0331	0.0503
Echinococcus multilocularis	survival motor neuron protein 1	0.0231	0.3129	0.3107
Toxoplasma gondii	ABC1 family protein	0.0077	0.0898	1
Schistosoma mansoni	inositol monophosphatase	0.0039	0.0351	0.032
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4172	1
Echinococcus granulosus	Protein patched homolog 1	0.0042	0.0394	0.0364
Trichomonas vaginalis	CAMK family protein kinase	0.0046	0.0444	0.0783
Schistosoma mansoni	hypothetical protein	0.0081	0.0963	0.0934
Brugia malayi	MH1 domain containing protein	0.0017	0.0031	0.0049
Onchocerca volvulus		0.0077	0.0898	0.1627
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0036	0.0306	0.0275
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0039	0.0351	0.0553
Schistosoma mansoni	survival motor neuron protein	0.0047	0.0465	0.0435
Schistosoma mansoni	sex comb on midleg homolog	0.0094	0.1153	0.1125
Trypanosoma brucei	hypothetical protein, conserved	0.0077	0.0898	0.7768
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0257	0.3512	0.5459
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0024	0.0127	0.0096
Trichomonas vaginalis	importin beta-1, putative	0.0026	0.0163	0.0087
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0234	0.3179	0.3157
Entamoeba histolytica	hypothetical protein	0.0038	0.0331	0.0503
Brugia malayi	MH2 domain containing protein	0.0017	0.0031	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0077	0.0898	0.1396
Schistosoma mansoni	hypothetical protein	0.0574	0.8116	0.811
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0188	0.0293
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0251	0.039
Echinococcus multilocularis	Basic leucine zipper (bZIP) transcription	0.0038	0.0331	0.03
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0081	0.0963	0.0934
Entamoeba histolytica	hypothetical protein	0.0038	0.0331	0.0503
Loa Loa (eye worm)	MH2 domain-containing protein	0.0017	0.0031	0.0049
Loa Loa (eye worm)	hypothetical protein	0.0052	0.0532	0.0826
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0077	0.0898	0.0917
Echinococcus granulosus	Niemann Pick C1 protein	0.0098	0.1208	0.118
Trichomonas vaginalis	penicillin-binding protein, putative	0.0077	0.0898	0.1905
Loa Loa (eye worm)	hypothetical protein	0.0176	0.2332	0.3625
Brugia malayi	MH1 domain containing protein	0.0017	0.0031	0.0049
Mycobacterium ulcerans	glutaminase	0.0279	0.3835	1
Brugia malayi	Smad1	0.0017	0.0031	0.0049
Leishmania major	protein kinase, putative,polo-like protein kinase, putative	0.0092	0.1119	1
Brugia malayi	Latrophilin receptor protein 2	0.0081	0.0963	0.1496
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0351	0.2254
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0234	0.3179	0.3157
Echinococcus granulosus	geminin	0.0332	0.4599	0.4582
Plasmodium vivax	importin-beta 2, putative	0.0032	0.0251	0.1606
Brugia malayi	hypothetical protein	0.0038	0.0331	0.0515
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0306	0.0275
Loa Loa (eye worm)	MH1 domain-containing protein	0.0017	0.0031	0.0049
Schistosoma mansoni	lamin	0.0028	0.0188	0.0157
Brugia malayi	hypothetical protein	0.0033	0.0258	0.0402
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0234	0.3179	0.3157
Echinococcus granulosus	Niemann Pick C1 protein	0.014	0.1819	0.1793
Echinococcus granulosus	suppression of tumorigenicity 18 protein	0.0108	0.1343	0.1316
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1119	0.2452
Loa Loa (eye worm)	glutaminase 2	0.0279	0.3835	0.5961
Echinococcus multilocularis	Niemann Pick C1 protein	0.0098	0.1208	0.118
Entamoeba histolytica	Niemann-Pick C1 protein, putative	0.0098	0.1208	0.2671
Schistosoma mansoni	intermediate filament proteins	0.0028	0.0188	0.0157
Schistosoma mansoni	kinase	0.0047	0.0462	0.0432
Schistosoma mansoni	hypothetical protein	0.0023	0.0113	0.0082
Loa Loa (eye worm)	beta-lactamase	0.0077	0.0898	0.1396
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4172	1
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.052	1
Schistosoma mansoni	niemann-pick C1 (NPC1)	0.01	0.123	0.1202
Trypanosoma brucei	polo-like protein kinase	0.0092	0.1119	1
Mycobacterium leprae	Probable fructose bisphosphate aldolase Fba	0.0148	0.1927	1
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0036	0.0306	0.0275
Schistosoma mansoni	hypothetical protein	0.0345	0.4785	0.4769
Echinococcus multilocularis	polycomb protein SCMH1	0.0094	0.1153	0.1125
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0039	0.0351	0.0553
Trichomonas vaginalis	set domain proteins, putative	0.0286	0.3933	0.9409
Loa Loa (eye worm)	glutaminase	0.0279	0.3835	0.5961
Onchocerca volvulus		0.0328	0.4548	1
Echinococcus granulosus	histone lysine methyltransferase setb	0.0036	0.0306	0.0275
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0234	0.3179	0.4941
Brugia malayi	Intermediate filament tail domain containing protein	0.0028	0.0188	0.0293
Mycobacterium ulcerans	beta-lactamase	0.0077	0.0898	0.157
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.0898	0.1905
Loa Loa (eye worm)	mbt repeat family protein	0.0094	0.1153	0.1793
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0026	0.0163	0.0087
Echinococcus granulosus	Basic leucine zipper bZIP transcription	0.0038	0.0331	0.03
Echinococcus multilocularis	sterol regulatory element binding protein	0.0042	0.0394	0.0364
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0081	0.0963	0.0934
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0257	0.3512	0.5459
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0113	0.0082
Loa Loa (eye worm)	MH2 domain-containing protein	0.0252	0.3436	0.5341
Onchocerca volvulus		0.0094	0.1153	0.2213
Trichomonas vaginalis	penicillin-binding protein, putative	0.0077	0.0898	0.1905
Brugia malayi	beta-lactamase	0.0077	0.0898	0.1396
Brugia malayi	Pre-SET motif family protein	0.0036	0.0306	0.0475
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0024	0.0127	0.0198
Echinococcus granulosus	intermediate filament protein	0.0028	0.0188	0.0157
Trypanosoma brucei	importin beta-1 subunit, putative	0.0032	0.0251	0.1247
Schistosoma mansoni	importin beta-1	0.0032	0.0251	0.022
Plasmodium falciparum	importin beta, putative	0.0032	0.0251	0.3155
Schistosoma mansoni	hypothetical protein	0.0041	0.0372	0.0342
Trichomonas vaginalis	esterase, putative	0.0077	0.0898	0.1905
Echinococcus granulosus	endonuclease exonuclease phosphatase	0.0372	0.5185	0.5169
Schistosoma mansoni	hypothetical protein	0.0332	0.4599	0.4582
Echinococcus multilocularis	musashi	0.0028	0.0188	0.0157
Echinococcus multilocularis	inositol monophosphatase 1	0.0039	0.0351	0.032
Onchocerca volvulus		0.0077	0.0898	0.1627
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0234	0.3179	0.4941
Giardia lamblia	Kinase, PLK	0.0092	0.1119	0.2452
Brugia malayi	intermediate filament protein	0.0028	0.0188	0.0293
Mycobacterium ulcerans	fructose-bisphosphate aldolase	0.0148	0.1927	0.4522
Trichomonas vaginalis	CAMK family protein kinase	0.0092	0.1119	0.2452
Mycobacterium tuberculosis	Conserved protein	0.0077	0.0898	0.0917
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0026	0.0163	0.0354
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.052	0.3954
Echinococcus granulosus	importin subunit beta 1	0.0032	0.0251	0.022
Brugia malayi	RNA, U transporter 1	0.0092	0.1115	0.1733
Echinococcus multilocularis	Niemann Pick C1 protein	0.014	0.1819	0.1793
Echinococcus granulosus	lamin dm0	0.0028	0.0188	0.0157
Loa Loa (eye worm)	hypothetical protein	0.0098	0.1208	0.1877
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0077	0.0898	0.0869
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4172	1
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0024	0.0127	0.0198
Brugia malayi	mbt repeat family protein	0.0094	0.1153	0.1793
Trichomonas vaginalis	D-aminoacylase, putative	0.0077	0.0898	0.1905
Loa Loa (eye worm)	inositol-1	0.0039	0.0351	0.0546
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0306	0.0475
Brugia malayi	Pre-SET motif family protein	0.0251	0.3429	0.533
Entamoeba histolytica	hypothetical protein	0.0026	0.0163	0.0087
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0039	0.0351	0.2254
Echinococcus granulosus	survival motor neuron protein 1	0.0231	0.3129	0.3107
Schistosoma mansoni	ran	0.0024	0.0127	0.0096
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0077	0.0898	0.0917
Trypanosoma cruzi	polo-like protein kinase, putative	0.0092	0.1119	1
Trichomonas vaginalis	fructose-bisphosphate aldolase, putative	0.0303	0.4172	1
Brugia malayi	glutaminase DH11.1	0.0279	0.3835	0.5961
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0077	0.0898	0.0869
Echinococcus granulosus	histone acetyltransferase MYST2	0.0108	0.1343	0.1316
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.052	0.5089
Loa Loa (eye worm)	MBCTL1	0.0108	0.1343	0.2088
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0077	0.0898	0.1396
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.0345	0.4785	0.7437
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.052	0.5089
Echinococcus multilocularis	suppression of tumorigenicity 18 protein	0.0108	0.1343	0.1316

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (functional)	1.7783 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)	14.7157 uM	PUBCHEM_BIOASSAY: Primary qHTS for delayed death inhibitors of the malarial parasite plastid, 48 hour incubation. (Class of assay: confirmatory) [Related pubchem assays (depositor defined):AID488752, AID488774, AID504848, AID504850]	ChEMBL.	No reference
Potency (functional)	= 15.8489 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase). (Class of assay: confirmatory) [Related pubchem assays: 2429 (Confirmation qHTS Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2407 (Probe Development Summary for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase)), 2427 (Thermal Shift Assay for Inhibitors of HPGD (15-Hydroxyprostaglandin Dehydrogenase))]	ChEMBL.	No reference
Potency (functional)	= 22.3872 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)	= 25.1189 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of the ERK Signaling Pathway using a Homogeneous Screening Assay. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 28.1838 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of Human Jumonji Domain Containing 2E (JMJD2E). (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	= 31.6228 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors of HSD17B4, hydroxysteroid (17-beta) dehydrogenase 4. (Class of assay: confirmatory)	ChEMBL.	No reference
Potency (functional)	35.4813 uM	PubChem BioAssay. qHTS Assay for Activators of ClpP. (Class of assay: confirmatory)	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: CHEMBL1392725

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1287632