TDR Targets

Basic information

Technical information

TDR Targets ID: 1407771
Name: [2-(ethoxycarbonyloxymethyl)-6-(2-phenylethyn yl)-3,6-dihydro-2H-pyran-3-yl] ethyl carbonat e
MW: 374.384 | Formula: C20H22O7
H donors: 0 H acceptors: 2 LogP: 3.82 Rotable bonds: 9
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)OCC1OC(C#Cc2ccccc2)C=CC1OC(=O)OCC
InChi: 1S/C20H22O7/c1-3-23-19(21)25-14-18-17(27-20(22)24-4-2)13-12-16(26-18)11-10-15-8-6-5-7-9-15/h5-9,12-13,16-18H,3-4,14H2,1-2H3
InChiKey: LMEOATCLLZCZND-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

carbonic acid [2-(ethoxycarbonyloxymethyl)-6-(2-phenylethynyl)-3,6-dihydro-2H-pyran-3-yl] ethyl ester
carbonic acid [2-(carbethoxyoxymethyl)-6-(2-phenylethynyl)-3,6-dihydro-2H-pyran-3-yl] ethyl ester

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	aldehyde dehydrogenase 1 family, member A1	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 19	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 3, subfamily A, polypeptide 4	Starlite/ChEMBL	No references
Homo sapiens	cytochrome P450, family 2, subfamily C, polypeptide 9	Starlite/ChEMBL	No references
Homo sapiens	microtubule-associated protein tau	Starlite/ChEMBL	No references
Bacillus anthracis	Anthrax lethal factor	Starlite/ChEMBL	No references

Predicted pathogen targets for this compound

By orthology

Species	Potential target	Known druggable target/s	Ortholog Group
Leishmania donovani	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Schistosoma japonicum	Aldehyde dehydrogenase X, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	CYP4Cod1	Get druggable targets OG5_126554	All targets in OG5_126554
Trypanosoma congolense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	microtubule-associated protein tau	Get druggable targets OG5_133504	All targets in OG5_133504
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania braziliensis	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania braziliensis	aldehyde dehydrogenase, mitochondrial precursor	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
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania mexicana	aldehyde dehydrogenase, mitochondrial precursor	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
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma brucei gambiense	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Candida albicans	closely related to C.maltosa N-alkane-inducible cytochrome P-450, alkane hydroxylating monooxygenase CYP52A3-b aka P450Alk1A (BA	Get druggable targets OG5_126554	All targets in OG5_126554
Candida albicans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	cytochrome P450 556	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus multilocularis	microtubule associated protein 2	Get druggable targets OG5_133504	All targets in OG5_133504
Candida albicans	Mitochondrial aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma cruzi	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	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
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126582	All targets in OG5_126582
Schistosoma japonicum	Aldehyde dehydrogenase, mitochondrial precursor, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	cytochrome P450 56	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Candida albicans	similar to C.maltosa N-alkane inducible cytochrome P-450, ALK8 CYP52A11	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	Get druggable targets OG5_126638	All targets in OG5_126638
Trypanosoma brucei	cytochrome P450, putative	Get druggable targets OG5_126554	All targets in OG5_126554
Neospora caninum	hypothetical protein	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania donovani	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Toxoplasma gondii	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K00128 aldehyde dehydrogenase (NAD+) [EC1.2.1.3], putative	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Mycobacterium ulcerans	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania major	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	ko:K04380 microtubule-associated protein tau, putative	Get druggable targets OG5_133504	All targets in OG5_133504
Brugia malayi	Cytochrome P450 family protein	Get druggable targets OG5_126554	All targets in OG5_126554
Leishmania infantum	cytochrome p450-like protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma japonicum	Retinal dehydrogenase 1, putative	Get druggable targets OG5_126638	All targets in OG5_126638
Loa Loa (eye worm)	hypothetical protein	Get druggable targets OG5_126554	All targets in OG5_126554
Schistosoma mansoni	aldehyde dehydrogenase	Get druggable targets OG5_126638	All targets in OG5_126638
Leishmania infantum	aldehyde dehydrogenase, mitochondrial precursor	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
Leishmania major	cytochrome p450-like protein	cytochrome P450, family 2, subfamily C, polypeptide 19	490 aa	411 aa	23.1 %
Mycobacterium tuberculosis	Probable cytochrome P450 136 Cyp136	cytochrome P450, family 2, subfamily C, polypeptide 9	490 aa	441 aa	21.8 %
Mycobacterium tuberculosis	Succinate-semialdehyde dehydrogenase [NADP+] dependent (SSDH) GabD1	aldehyde dehydrogenase 1 family, member A1	501 aa	456 aa	33.3 %
Brugia malayi	cytochrome P450	cytochrome P450, family 3, subfamily A, polypeptide 4	502 aa	492 aa	24.2 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Plasmodium vivax	importin-beta 2, putative	0.0028	0.0208	0.7101
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0208	0.6591
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0151	0.1321
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-41	0.002	0.0107	0.0242
Schistosoma mansoni	tumor necrosis factor receptor related	0.0039	0.0335	0.0313
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-31	0.002	0.0107	0.0242
Echinococcus multilocularis	FTZ F1 alpha	0.002	0.0107	0.0085
Echinococcus granulosus	FTZ F1 nuclear receptor protein	0.002	0.0107	0.0085
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0293	0.0271
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0173	0.0433
Echinococcus multilocularis	jumonji domain containing protein	0.0039	0.0347	0.0325
Brugia malayi	hypothetical protein	0.0019	0.0101	0.0811
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0016	0.0064	0.0041
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0107	0.0866
Brugia malayi	Importin beta-1 subunit	0.0028	0.0208	0.1904
Echinococcus granulosus	Ankyrin	0.0025	0.0173	0.0151
Schistosoma mansoni	lipoxygenase	0.0116	0.1271	0.1252
Echinococcus granulosus	arachidonate 5 lipoxygenase	0.0116	0.1271	0.1252
Echinococcus granulosus	ecdysone induced protein 78C	0.002	0.0107	0.0085
Loa Loa (eye worm)	beta-lactamase	0.0035	0.0293	0.0775
Schistosoma mansoni	jumonji domain containing protein	0.0074	0.0764	0.0743
Mycobacterium tuberculosis	Probable lipase LipE	0.0035	0.0293	0.1053
Echinococcus granulosus	Polycystic kidney disease protein	0.0019	0.0101	0.0079
Leishmania major	hypothetical protein, conserved	0.0035	0.0293	0.3674
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0758	1
Brugia malayi	CXXC zinc finger family protein	0.0028	0.0206	0.189
Toxoplasma gondii	histone lysine methyltransferase SET1	0.0053	0.0511	0.6635
Echinococcus multilocularis	ankyrin repeat and death domain containing protein	0.0025	0.0173	0.0151
Echinococcus multilocularis	arachidonate 5 lipoxygenase	0.0116	0.1271	0.1252
Mycobacterium ulcerans	beta-lactamase	0.0035	0.0293	0.3674
Echinococcus granulosus	RUN	0.0019	0.0101	0.0079
Brugia malayi	PHD-finger family protein	0.0028	0.0212	0.1941
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0293	0.9407
Schistosoma mansoni	hypothetical protein	0.0015	0.0053	0.0031
Schistosoma mansoni	Tr4/Tr2 (homologue)	0.002	0.0107	0.0085
Brugia malayi	Nuclear hormone receptor family member nhr-49	0.002	0.0107	0.0866
Onchocerca volvulus	Alhambra homolog	0.0028	0.0212	0.0317
Mycobacterium tuberculosis	Inositol-1-monophosphatase SuhB	0.0032	0.0258	0.0917
Mycobacterium ulcerans	esterase/lipase LipP	0.0035	0.0293	0.3674
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0293	0.9407
Loa Loa (eye worm)	jmjC domain-containing protein	0.0059	0.0579	0.1595
Echinococcus granulosus	matrix metallopeptidase 7 M10 family	0.0134	0.15	0.1481
Brugia malayi	beta-lactamase	0.0035	0.0293	0.2775
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0107	0.0866
Onchocerca volvulus		0.002	0.0107	0.0015
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0028	0.0206	0.0528
Trypanosoma brucei	hypothetical protein, conserved	0.0035	0.0293	0.9608
Schistosoma mansoni	hypothetical protein	0.0025	0.0173	0.0151
Loa Loa (eye worm)	PHD-finger family protein	0.0028	0.0212	0.0542
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0293	0.0775
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0304	0.0282
Echinococcus multilocularis	netrin receptor unc 5	0.0025	0.0173	0.0151
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0457	0.1245
Echinococcus granulosus	netrin receptor unc 5	0.0025	0.0173	0.0151
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0151	0.0369
Echinococcus multilocularis	cpg binding protein	0.003	0.0226	0.0204
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0118	0.3388
Toxoplasma gondii	inositol(myo)-1(or 4)-monophosphatase 2, putative	0.0036	0.0304	0.3824
Trypanosoma cruzi	importin beta-1 subunit, putative	0.0023	0.0143	0.4297
Echinococcus granulosus	GPCR family 2	0.0015	0.0053	0.0031
Brugia malayi	latrophilin 2 splice variant baaae	0.0033	0.027	0.2541
Mycobacterium tuberculosis	Probable esterase LipL	0.0035	0.0293	0.1053
Brugia malayi	GTP-binding nuclear protein RAN/TC4	0.0021	0.0118	0.0979
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0293	0.9608
Schistosoma mansoni	hypothetical protein	0.0015	0.0053	0.0031
Echinococcus granulosus	retinoic acid receptor rxr beta a	0.002	0.0107	0.0085
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0293	0.9407
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0212	0.257
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0101	0.0079
Toxoplasma gondii	aldehyde dehydrogenase	0.0073	0.0758	1
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0143	0.1374
Mycobacterium ulcerans	hydrolase	0.0045	0.0414	0.5317
Trichomonas vaginalis	D-aminoacylase, putative	0.0035	0.0293	0.9407
Schistosoma mansoni	bromodomain-containing nuclear protein 1 brd1	0.0028	0.0212	0.019
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0107	0.0866
Brugia malayi	Latrophilin receptor protein 2	0.0015	0.0053	0.0316
Brugia malayi	Matrixin family protein	0.0037	0.0316	0.3012
Echinococcus granulosus	tumor necrosis factor receptor superfamily	0.0039	0.0335	0.0313
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0151	0.4573
Echinococcus multilocularis	Nuclear hormone receptor family member nhr 41	0.002	0.0107	0.0085
Wolbachia endosymbiont of Brugia malayi	fructose-1,6-bisphosphatase	0.0036	0.0304	0.5
Trichomonas vaginalis	penicillin-binding protein, putative	0.0035	0.0293	0.9407
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0293	0.0775
Plasmodium vivax	hypothetical protein, conserved	0.0028	0.0212	0.7226
Echinococcus granulosus	importin subunit beta 1	0.0028	0.0208	0.0186
Brugia malayi	F/Y-rich N-terminus family protein	0.0018	0.0083	0.0623
Schistosoma mansoni	retinoid-x-receptor (RXR)	0.002	0.0107	0.0085
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0015	0.0053	0.0316
Loa Loa (eye worm)	hypothetical protein	0.002	0.0107	0.0242
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0303	0.0282
Brugia malayi	Immunoglobulin I-set domain containing protein	0.0025	0.0173	0.155
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0101	0.0226
Loa Loa (eye worm)	hypothetical protein	0.002	0.0107	0.0242
Schistosoma mansoni	hypothetical protein	0.0052	0.0503	0.0482
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0293	0.1053
Leishmania major	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0304	0.3824
Mycobacterium leprae	conserved hypothetical protein	0.0035	0.0293	0.6909
Loa Loa (eye worm)	GTP-binding nuclear protein RAN/TC4	0.0021	0.0118	0.0273
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0107	0.0085
Onchocerca volvulus		0.0035	0.0293	0.0551
Schistosoma mansoni	ran	0.0021	0.0118	0.0096
Brugia malayi	Uncoordinated protein 44	0.0025	0.0173	0.155
Mycobacterium leprae	Probable lipase LipE	0.0035	0.0293	0.6909
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0304	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0316	0.0841
Brugia malayi	Nuclear hormone receptor family member nhr-40	0.002	0.0107	0.0866
Brugia malayi	Nuclear hormone receptor-like 1	0.002	0.0107	0.0866
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0035	0.0293	0.0775
Onchocerca volvulus		0.0028	0.0206	0.0303
Trichomonas vaginalis	importin beta-1, putative	0.0023	0.0143	0.1374
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0316	0.0841
Echinococcus granulosus	lipoxygenase domain containing protein	0.0019	0.0101	0.0079
Plasmodium falciparum	importin beta, putative	0.0028	0.0208	0.9827
Schistosoma mansoni	hypothetical protein	0.0028	0.0212	0.019
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0107	0.0085
Loa Loa (eye worm)	hypothetical protein	0.002	0.0107	0.0242
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0293	0.0775
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0035	0.0293	0.3674
Toxoplasma gondii	GTP-binding nuclear protein ran/tc4	0.0021	0.0118	0.1295
Echinococcus granulosus	nuclear receptor 2DBD gamma	0.002	0.0107	0.0085
Onchocerca volvulus	Matrix metalloproteinase homolog	0.0082	0.0863	0.2192
Schistosoma mansoni	loxhd1	0.0019	0.0101	0.0079
Brugia malayi	ecdysteroid receptor	0.002	0.0107	0.0866
Echinococcus multilocularis	importin subunit beta 1	0.0028	0.0208	0.0186
Echinococcus granulosus	dnaJ subfamily B	0.0398	0.4708	0.4696
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0049	0.0457	0.1245
Loa Loa (eye worm)	matrixin family protein	0.0082	0.0863	0.241
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0316	0.0841
Echinococcus granulosus	GTP binding nuclear protein Ran	0.0021	0.0118	0.0096
Loa Loa (eye worm)	nuclear Hormone Receptor family member	0.002	0.0107	0.0242
Loa Loa (eye worm)	matrixin family protein	0.0089	0.0953	0.2667
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0293	0.0775
Mycobacterium ulcerans	cytochrome P450 185A4 Cyp185A4	0.0023	0.0151	0.1749
Echinococcus multilocularis	matrix metallopeptidase 7 (M10 family)	0.0134	0.15	0.1481
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0107	0.0085
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0049	0.0457	0.4458
Brugia malayi	hypothetical protein	0.0019	0.0101	0.0811
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0035	0.0293	0.0271
Schistosoma mansoni	nuclear hormone receptor	0.002	0.0107	0.0085
Schistosoma mansoni	matrix metallopeptidase-9 (M10 family)	0.0088	0.0933	0.0913
Schistosoma mansoni	hypothetical protein	0.0015	0.0053	0.0031
Schistosoma mansoni	retinoblastoma-binding protein 4 (rbbp4)	0.0025	0.0173	0.0151
Leishmania major	cytochrome p450-like protein	0.0023	0.0151	0.1749
Onchocerca volvulus	Netrin receptor homolog	0.0025	0.0173	0.0207
Entamoeba histolytica	myo-inositol monophosphatase, putative	0.0036	0.0304	1
Schistosoma mansoni	FTZ-F1 nuclear receptor-like protein	0.002	0.0107	0.0085
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0015	0.0053	0.0031
Mycobacterium tuberculosis	Probable peptidoglycan hydrolase	0.0045	0.0414	0.1524
Leishmania major	importin beta-1 subunit, putative	0.0023	0.0143	0.1643
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0208	0.0532
Loa Loa (eye worm)	hypothetical protein	0.0028	0.0212	0.0542
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0015	0.0053	0.0031
Brugia malayi	RNA, U transporter 1	0.008	0.0837	0.8365
Echinococcus granulosus	death domain containing protein	0.0025	0.0173	0.0151
Loa Loa (eye worm)	hypothetical protein	0.002	0.0107	0.0242
Plasmodium vivax	GTP-binding nuclear protein RAN/TC4, putative	0.0021	0.0118	0.4022
Schistosoma mansoni	coup transcription factor	0.002	0.0107	0.0085
Brugia malayi	Steroid receptor seven-up type 2	0.002	0.0107	0.0866
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0035	0.0293	0.2775
Echinococcus granulosus	PHD finger protein rhinoceros	0.0028	0.0212	0.019
Brugia malayi	beta-lactamase family protein	0.0035	0.0293	0.2775
Echinococcus granulosus	COUP TF:Svp nuclear hormone receptor	0.002	0.0107	0.0085
Plasmodium falciparum	LCCL domain-containing protein	0.0019	0.0101	0.4792
Loa Loa (eye worm)	CYP4Cod1	0.0023	0.0151	0.0369
Plasmodium falciparum	phd finger protein, putative	0.0028	0.0212	1
Echinococcus granulosus	lysine specific demethylase 5A	0.0036	0.0303	0.0282
Echinococcus multilocularis	ecdysone induced protein 78C	0.002	0.0107	0.0085
Echinococcus granulosus	TNFR CD27 30 40 95 cysteine rich region	0.0039	0.0335	0.0313
Toxoplasma gondii	HEAT repeat-containing protein	0.0028	0.0208	0.252
Mycobacterium ulcerans	extragenic suppressor protein SuhB	0.0036	0.0304	0.3824
Schistosoma mansoni	netrin receptor unc5	0.0025	0.0173	0.0151
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0293	0.1053
Brugia malayi	Matrixin family protein	0.0037	0.0316	0.3012
Mycobacterium leprae	possible inositol monophosphatase SubH (IMPase) (inositol-1-phosphatase) (I-1-Pase ).	0.0032	0.0258	0.602
Echinococcus multilocularis	RUN	0.0019	0.0101	0.0079
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0304	1
Onchocerca volvulus	Bile acid receptor homolog	0.002	0.0107	0.0015
Brugia malayi	Nuclear hormone receptor family member nhr-14	0.002	0.0107	0.0866
Schistosoma mansoni	cpg binding protein	0.0028	0.0206	0.0184
Plasmodium vivax	multidomain scavenger receptor, putative	0.0019	0.0101	0.3463
Loa Loa (eye worm)	hypothetical protein	0.0033	0.027	0.071
Loa Loa (eye worm)	cytochrome P450 family protein	0.0023	0.0151	0.0369
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0015	0.0053	0.0088
Loa Loa (eye worm)	inositol-1	0.0036	0.0304	0.0807
Schistosoma mansoni	hypothetical protein	0.0019	0.0101	0.0079
Brugia malayi	Ligand-binding domain of nuclear hormone receptor family protein	0.002	0.0107	0.0866
Brugia malayi	jmjC domain containing protein	0.0036	0.0303	0.2886
Loa Loa (eye worm)	jmjC domain-containing protein	0.0036	0.0303	0.0806
Mycobacterium tuberculosis	Probable esterase/lipase LipP	0.0035	0.0293	0.1053
Brugia malayi	Cytochrome P450 family protein	0.0023	0.0151	0.1321
Trypanosoma cruzi	hypothetical protein, conserved	0.0035	0.0293	0.9608
Brugia malayi	Nuclear hormone receptor family member nhr-1	0.002	0.0107	0.0866
Trichomonas vaginalis	inositol monophosphatase, putative	0.0036	0.0304	1
Schistosoma mansoni	jumonji/arid domain-containing protein	0.0036	0.0303	0.0282
Brugia malayi	Matrix metalloprotease, N-terminal domain containing protein	0.0045	0.0414	0.4017
Trypanosoma brucei	cytochrome P450, putative	0.0023	0.0151	0.4573
Echinococcus multilocularis	aldehyde dehydrogenase, mitochondrial	0.0073	0.0758	0.0737
Echinococcus granulosus	inositol monophosphatase 1	0.0036	0.0304	0.0282
Schistosoma mansoni	cpg binding protein	0.003	0.0226	0.0204
Echinococcus multilocularis	lysine specific demethylase 5A	0.0034	0.0284	0.0262
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-1	0.002	0.0107	0.0242
Mycobacterium tuberculosis	Probable conserved lipoprotein	0.0035	0.0293	0.1053
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0293	0.0775
Loa Loa (eye worm)	hypothetical protein	0.0025	0.0173	0.0433
Schistosoma mansoni	rab6-interacting	0.0019	0.0101	0.0079
Onchocerca volvulus		0.0035	0.0293	0.0551
Trichomonas vaginalis	myo inositol monophosphatase, putative	0.0036	0.0304	1
Echinococcus multilocularis	inositol monophosphatase 1	0.0036	0.0304	0.0282
Echinococcus granulosus	cpg binding protein	0.003	0.0226	0.0204
Echinococcus granulosus	hepatocyte nuclear factor 4 alpha	0.002	0.0107	0.0085
Brugia malayi	Nuclear hormone receptor family member nhr-31	0.002	0.0107	0.0866
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0053	0.0088
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0059	0.0588	0.0566
Onchocerca volvulus	Matrilysin homolog	0.0037	0.0316	0.0617
Loa Loa (eye worm)	hypothetical protein	0.0045	0.0414	0.1122
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0101	0.0079
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-49	0.002	0.0107	0.0242
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0758	0.0737
Onchocerca volvulus	Steroid hormone receptor family member cnr14 homolog	0.002	0.0107	0.0015
Echinococcus multilocularis	COUP TF:Svp nuclear hormone receptor	0.002	0.0107	0.0085
Toxoplasma gondii	ABC1 family protein	0.0035	0.0293	0.3674
Mycobacterium tuberculosis	Conserved protein	0.0035	0.0293	0.1053
Plasmodium falciparum	GTP-binding nuclear protein RAN/TC4	0.0021	0.0118	0.5566
Schistosoma mansoni	importin beta-1	0.0028	0.0208	0.0186
Mycobacterium leprae	PROBABLE HYDROLASE	0.0045	0.0414	1
Schistosoma mansoni	ran	0.0021	0.0118	0.0096
Brugia malayi	jmjC domain containing protein	0.0093	0.0996	1
Schistosoma mansoni	ankyrin 23/unc44	0.0025	0.0173	0.0151
Trypanosoma cruzi	cytochrome P450, putative	0.0023	0.0151	0.4573
Echinococcus multilocularis	snurportin 1	0.03	0.351	0.3496
Echinococcus granulosus	ankyrin repeat and death domain containing protein	0.0025	0.0173	0.0151
Loa Loa (eye worm)	hypothetical protein	0.002	0.0107	0.0242
Mycobacterium tuberculosis	Probable hydrolase	0.0035	0.0293	0.1053
Echinococcus multilocularis	Transcription factor, JmjC domain containing protein	0.0093	0.0996	0.0976
Echinococcus multilocularis	lipoxygenase domain containing protein	0.0019	0.0101	0.0079
Schistosoma mansoni	hypothetical protein	0.0033	0.027	0.0248
Brugia malayi	nuclear receptor NHR-88	0.002	0.0107	0.0866
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0293	0.0775
Brugia malayi	Death domain containing protein	0.0025	0.0173	0.155
Onchocerca volvulus		0.0037	0.0316	0.0617
Mycobacterium ulcerans	hypothetical protein	0.0035	0.0293	0.3674
Echinococcus multilocularis	GPCR, family 2	0.0015	0.0053	0.0031
Loa Loa (eye worm)	cytochrome P450 family protein	0.0059	0.0583	0.1607
Trypanosoma cruzi	myo-inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0304	1
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0035	0.0293	0.0271
Schistosoma mansoni	hypothetical protein	0.0015	0.0053	0.0031
Loa Loa (eye worm)	immunoglobulin I-set domain-containing protein	0.0025	0.0173	0.0433
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0758	1
Brugia malayi	Bromodomain containing protein	0.0028	0.0212	0.1941
Schistosoma mansoni	rab6-interacting	0.0019	0.0101	0.0079
Echinococcus multilocularis	GTP binding nuclear protein Ran	0.0021	0.0118	0.0096
Echinococcus granulosus	aldehyde dehydrogenase mitochondrial	0.0073	0.0758	0.0737
Brugia malayi	Nuclear hormone receptor family member nhr-41	0.002	0.0107	0.0866
Mycobacterium tuberculosis	Possible conserved lipoprotein LpqK	0.0035	0.0293	0.1053
Schistosoma mansoni	retinoic acid receptor RXR	0.002	0.0107	0.0085
Echinococcus multilocularis	thyroid hormone receptor alpha	0.002	0.0107	0.0085
Trypanosoma brucei	GTP-binding nuclear protein rtb2, putative	0.0021	0.0118	0.3388
Echinococcus multilocularis	tumor necrosis factor receptor superfamily	0.0039	0.0335	0.0313
Loa Loa (eye worm)	matrix metalloproteinase	0.0037	0.0316	0.0841
Echinococcus multilocularis	TNFR CD27 30 40 95 cysteine rich region	0.0039	0.0335	0.0313
Echinococcus granulosus	beta LACTamase domain containing family member	0.0035	0.0293	0.0271
Brugia malayi	photoreceptor-specific nuclear receptor	0.002	0.0107	0.0866
Onchocerca volvulus		0.0035	0.0293	0.0551
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0015	0.0053	0.0031
Echinococcus granulosus	Nuclear hormone receptor family member nhr 41	0.002	0.0107	0.0085
Onchocerca volvulus	Protein ultraspiracle homolog	0.002	0.0107	0.0015
Schistosoma mansoni	hypothetical protein	0.03	0.351	0.3496
Brugia malayi	Cytochrome P450 family protein	0.0059	0.0583	0.5753
Schistosoma mansoni	polycystin 1-related	0.0019	0.0101	0.0079
Brugia malayi	Matrixin family protein	0.0037	0.0316	0.3012
Entamoeba histolytica	hypothetical protein	0.0023	0.0143	0.1374
Onchocerca volvulus		0.0052	0.0503	0.1158
Mycobacterium tuberculosis	Probable lipase LipD	0.0035	0.0293	0.1053
Onchocerca volvulus	Matrilysin homolog	0.0082	0.0863	0.2192
Schistosoma mansoni	RAR-like nuclear receptor	0.002	0.0107	0.0085
Echinococcus granulosus	jumonji domain containing protein	0.0039	0.0347	0.0325
Trypanosoma brucei	importin beta-1 subunit, putative	0.0028	0.0208	0.6591
Loa Loa (eye worm)	hypothetical protein	0.0049	0.0458	0.1249
Schistosoma mansoni	nuclear receptor 2DBD-gamma	0.002	0.0107	0.0085
Schistosoma mansoni	cpg binding protein	0.003	0.0226	0.0204
Brugia malayi	Matrixin family protein	0.0089	0.0953	0.9551
Trypanosoma cruzi	GTP-binding nuclear protein rtb2, putative	0.0021	0.0118	0.3388
Brugia malayi	Matrixin family protein	0.0037	0.0316	0.3012
Echinococcus multilocularis	peregrin	0.0028	0.0212	0.019
Brugia malayi	steroid hormone receptor	0.002	0.0107	0.0866
Loa Loa (eye worm)	hypothetical protein	0.0019	0.0101	0.0226
Brugia malayi	Nuclear hormone receptor family member nhr-25	0.002	0.0107	0.0866
Mycobacterium tuberculosis	Probable aldehyde dehydrogenase	0.0073	0.0758	0.2866
Echinococcus granulosus	FTZ F1 alpha	0.002	0.0107	0.0085
Schistosoma mansoni	inositol monophosphatase	0.0036	0.0304	0.0282
Echinococcus multilocularis	PHD finger protein rhinoceros	0.0028	0.0212	0.019
Brugia malayi	Inositol-1	0.0036	0.0304	0.2888
Brugia malayi	beta-lactamase family protein	0.0035	0.0293	0.2775
Toxoplasma gondii	PHD-finger domain-containing protein	0.0028	0.0212	0.257
Mycobacterium ulcerans	lipase LipD	0.0035	0.0293	0.3674
Loa Loa (eye worm)	hypothetical protein	0.002	0.0107	0.0242
Loa Loa (eye worm)	doublecortin family protein	0.0019	0.0101	0.0226
Leishmania major	GTP-binding protein, putative	0.0021	0.0118	0.1295
Schistosoma mansoni	steroid hormone receptor ad4bp	0.002	0.0107	0.0085
Schistosoma mansoni	nuclear hormone receptor nor-1/nor-2	0.002	0.0107	0.0085
Schistosoma mansoni	thyroid hormone receptor	0.002	0.0107	0.0085
Loa Loa (eye worm)	steroid hormone receptor	0.002	0.0107	0.0242
Brugia malayi	Nuclear hormone receptor family member nhr-3	0.002	0.0107	0.0866
Echinococcus multilocularis	Ankyrin	0.0025	0.0173	0.0151
Echinococcus multilocularis	hepatocyte nuclear factor 4 alpha	0.002	0.0107	0.0085
Brugia malayi	Protein kinase domain containing protein	0.0025	0.0173	0.155
Loa Loa (eye worm)	hypothetical protein	0.002	0.0107	0.0242
Echinococcus multilocularis	Polycystic kidney disease protein	0.0019	0.0101	0.0079
Giardia lamblia	PHD finger protein 15	0.0028	0.0212	1
Echinococcus granulosus	Transcription factor JmjC domain containing protein	0.0093	0.0996	0.0976
Schistosoma mansoni	photoreceptor-specific nuclear receptor related	0.002	0.0107	0.0085
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-40	0.002	0.0107	0.0242
Plasmodium vivax	hypothetical protein, conserved	0.0035	0.0293	1
Echinococcus multilocularis	FTZ F1 nuclear receptor protein	0.002	0.0107	0.0085
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0224	0.2589	1
Echinococcus multilocularis	nuclear receptor 2DBD gamma	0.002	0.0107	0.0085
Trichomonas vaginalis	esterase, putative	0.0035	0.0293	0.9407
Trichomonas vaginalis	Importin beta-1 subunit, putative	0.0023	0.0143	0.1374
Brugia malayi	Doublecortin family protein	0.0019	0.0101	0.0811
Loa Loa (eye worm)	nuclear hormone receptor family member nhr-14	0.002	0.0107	0.0242
Brugia malayi	nuclear hormone receptor	0.002	0.0107	0.0866
Echinococcus granulosus	snurportin 1	0.03	0.351	0.3496
Schistosoma mansoni	hypothetical protein	0.0398	0.4708	0.4696
Loa Loa (eye worm)	hypothetical protein	0.002	0.0107	0.0242
Schistosoma mansoni	matrix metallopeptidase-7 (M10 family)	0.0037	0.0316	0.0294
Onchocerca volvulus		0.0305	0.3575	1
Echinococcus multilocularis	dnaJ subfamily B	0.0398	0.4708	0.4696
Schistosoma mansoni	aldehyde dehydrogenase	0.0073	0.0758	0.0737
Schistosoma mansoni	lipoxygenase	0.0081	0.0849	0.0828
Brugia malayi	Hemopexin family protein	0.0052	0.0503	0.4939
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0015	0.0053	0.0031
Echinococcus granulosus	peregrin	0.0028	0.0212	0.019
Mycobacterium ulcerans	aldehyde dehydrogenase	0.0073	0.0758	1
Brugia malayi	Nuclear hormone receptor family member nhr-19	0.002	0.0107	0.0866
Leishmania major	aldehyde dehydrogenase, mitochondrial precursor	0.0073	0.0758	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0049	0.0457	0.4458
Loa Loa (eye worm)	nucleolar RNA-associated protein alpha	0.03	0.351	1
Trypanosoma brucei	inositol-1(or 4)-monophosphatase 1, putative	0.0036	0.0304	1

Activities

Activity type	Activity value	Assay description	Source	Reference
Potency (ADMET)	= 0.0794 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C9. (Class of assay: confirmatory) [Related pubchem assays: 885, 884, 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 2.5119 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 2C19. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (binding)	= 3.1623 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)	= 3.5481 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 (ADMET)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Activators of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (ADMET)	= 3.9811 um	PUBCHEM_BIOASSAY: qHTS Assay for Inhibitors and Substrates of Cytochrome P450 3A4. (Class of assay: confirmatory) [Related pubchem assays: 410 ]	ChEMBL.	No reference
Potency (functional)	= 5.0119 um	PUBCHEM_BIOASSAY: qHTS Assay for Anthrax Lethal Toxin Internalization. (Class of assay: confirmatory)	ChEMBL.	No reference

Phenotypes

Whole-cell/tissue/organism interactions

We have no records of whole-cell/tissue assays done with this compound What does this mean?

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: CHEMBL1565169

Bibliographic References

No literature references available for this target.

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Detailed information for compound 1407771