TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 212.247 | Formula: C13H12N2O
H donors: 2 H acceptors: 2 LogP: 1.83 Rotable bonds: 1
Rule of 5 violations (Lipinski): 1
SMILES: OCc1cc(C)nc2c1ccc1c2cc[nH]1
InChi: 1S/C13H12N2O/c1-8-6-9(7-16)10-2-3-12-11(4-5-14-12)13(10)15-8/h2-6,14,16H,7H2,1H3
InChiKey: GWAAXHGKCJZRCZ-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

No synonyms found for this compound

Targets

Known targets for this compound

Species	Target name	Source	Bibliographic reference
Homo sapiens	cytochrome P450, family 19, subfamily A, polypeptide 1	Starlite/ChEMBL	References

Predicted pathogen targets for this compound

By orthology

No druggable targets predicted by orthology data

By sequence similarity to non orthologous known druggable targets

Species	Potential target	Known druggable target	Length	Alignment span	Identity
Trypanosoma cruzi	cytochrome P450, putative	cytochrome P450, family 19, subfamily A, polypeptide 1	503 aa	425 aa	18.8 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Toxoplasma gondii	ABC1 family protein	0.0036	0.0179	0.1259
Plasmodium vivax	calcium-dependent protein kinase 7, putative	0.0042	0.0214	1
Leishmania major	protein kinase, putative	0.0042	0.0214	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Plasmodium vivax	hypothetical protein, conserved	0.0037	0.0186	0.4833
Schistosoma mansoni	hypothetical protein	0.0037	0.0186	0.0186
Brugia malayi	PH domain containing protein	0.0037	0.0186	0.0614
Schistosoma mansoni	serine/threonine protein kinase	0.1718	1	1
Loa Loa (eye worm)	uncoordinated protein 104	0.0037	0.0186	0.0156
Trichomonas vaginalis	conserved hypothetical protein	0.0202	0.1145	0.7803
Schistosoma mansoni	serine/threonine protein kinase	0.1718	1	1
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0877	0.085
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0067
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0042	0.0214	0.0295
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Brugia malayi	PH domain containing protein	0.0037	0.0186	0.0614
Toxoplasma gondii	phosphatidylinositol transfer protein	0.0037	0.0186	0.1679
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Toxoplasma gondii	calcium dependent protein kinase CDPK7	0.0042	0.0214	0.3473
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Echinococcus granulosus	arf GAP with coiled coil ANK repeat and PH	0.0037	0.0186	0.0167
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Onchocerca volvulus		0.0036	0.0179	0.0235
Brugia malayi	PH domain containing protein	0.0037	0.0186	0.0614
Trichomonas vaginalis	esterase, putative	0.0036	0.0179	0.1174
Entamoeba histolytica	protein kinase, putative	0.0042	0.0214	0.0295
Plasmodium vivax	hypothetical protein, conserved	0.0036	0.0179	0.3625
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0245	0.14	0.1374
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Echinococcus multilocularis	Pleckstrin y	0.0037	0.0186	0.0167
Echinococcus granulosus	pdz domain containing protein	0.0037	0.0186	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Echinococcus granulosus	muscleblind protein	0.0156	0.0877	0.086
Schistosoma mansoni	regulator of G protein signaling	0.0202	0.1145	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0179	0.015
Trichomonas vaginalis	kinesin light chain, putative	0.0037	0.0186	0.122
Brugia malayi	Cadps2 protein	0.0037	0.0186	0.0614
Echinococcus granulosus	A kinase anchor protein 10 mitochondrial	0.0202	0.1145	0.1128
Trypanosoma cruzi	PH domain containing protein, putative	0.0037	0.0186	0.1895
Echinococcus granulosus	oxysterol binding protein 1	0.0037	0.0186	0.0167
Trichomonas vaginalis	conserved hypothetical protein	0.0202	0.1145	0.7803
Trichomonas vaginalis	alpha chimerin, putative	0.0037	0.0186	0.122
Schistosoma mansoni	oxysterol-binding protein 1	0.0037	0.0186	0.0186
Loa Loa (eye worm)	rho-GTPase-activating	0.0037	0.0186	0.0156
Trichomonas vaginalis	centaurin/arf, putative	0.0037	0.0186	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Loa Loa (eye worm)	latrophilin receptor protein 2	0.0017	0.0067	0.0037
Schistosoma mansoni	hypothetical protein	0.0037	0.0186	0.0186
Plasmodium vivax	oxysterol-binding protein/PH domain containing protein	0.0037	0.0186	0.4833
Echinococcus multilocularis	axis inhibition protein axin	0.0202	0.1145	0.1128
Leishmania major	serine/threonine-protein kinase a, putative	0.0042	0.0214	1
Toxoplasma gondii	Oxysterol-binding protein	0.0037	0.0186	0.1679
Brugia malayi	Hypothetical 52.5 kDa protein ZK945.1 in chromosome II, putative	0.0036	0.0179	0.0588
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Mycobacterium ulcerans	beta-lactamase	0.0036	0.0179	0.5
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Trichomonas vaginalis	centaurin beta, putative	0.0037	0.0186	0.122
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0046	0.0237	0.0813
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0202	0.1145	0.7803
Loa Loa (eye worm)	PH domain-containing protein	0.0037	0.0186	0.0156
Trichomonas vaginalis	conserved hypothetical protein	0.0202	0.1145	0.7803
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1145	0.1118
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0237	0.0218
Toxoplasma gondii	hypothetical protein	0.0037	0.0186	0.1679
Echinococcus multilocularis	regulator of G protein signaling	0.0202	0.1145	0.1128
Onchocerca volvulus		0.0037	0.0186	0.0286
Trichomonas vaginalis	conserved hypothetical protein	0.0202	0.1145	0.7803
Trypanosoma brucei	protein kinase, putative	0.0042	0.0214	1
Brugia malayi	Calcitonin receptor-like protein seb-1	0.0054	0.0281	0.0989
Trichomonas vaginalis	ankyrin repeat and FYVE domain containing protein, putative	0.0037	0.0186	0.122
Echinococcus granulosus	regulator of G protein signaling 3	0.0202	0.1145	0.1128
Echinococcus granulosus	regulator of G protein signaling 7	0.0202	0.1145	0.1128
Echinococcus multilocularis	calcium dependent secretion activator 1	0.0037	0.0186	0.0167
Echinococcus granulosus	expressed protein	0.0202	0.1145	0.1128
Echinococcus multilocularis	Arf GAP and Pleckstrin domain containing protein	0.0037	0.0186	0.0167
Echinococcus multilocularis	histone lysine N methyltransferase MLL3	0.0011	0.003	0.0011
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Loa Loa (eye worm)	RhoGEF domain-containing protein	0.0037	0.0186	0.0156
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.0037	0.0186	0.0156
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0237	0.0237
Brugia malayi	Uncoordinated protein 104	0.0037	0.0186	0.0614
Leishmania major	protein kinase, putative,serine/threonine protein kinase, putative	0.0042	0.0214	1
Toxoplasma gondii	protein kinase domain-containing protein	0.0042	0.0214	0.3473
Echinococcus granulosus	oxysterol binding protein 3	0.0037	0.0186	0.0167
Brugia malayi	A-kinase anchor protein 10, precursor	0.0202	0.1145	0.4377
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0159	0.0159
Schistosoma mansoni	axis inhibition protein axin	0.0202	0.1145	0.1145
Echinococcus granulosus	regulator of G protein signaling 7	0.0202	0.1145	0.1128
Onchocerca volvulus		0.0256	0.1465	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Leishmania major	rac serine-threonine kinase, putative,protein kinase, putative	0.0042	0.0214	1
Loa Loa (eye worm)	beta-lactamase	0.0036	0.0179	0.015
Brugia malayi	MAX-1A	0.0037	0.0186	0.0614
Entamoeba histolytica	hypothetical protein	0.0042	0.0214	0.0295
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Mycobacterium ulcerans	hypothetical protein	0.0036	0.0179	0.5
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0037	0.0186	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Echinococcus granulosus	pleckstrin y domain containing family A	0.0037	0.0186	0.0167
Schistosoma mansoni	regulator of G protein signaling	0.0202	0.1145	0.1145
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Loa Loa (eye worm)	PXA domain-containing protein	0.0202	0.1145	0.1118
Echinococcus granulosus	ras specific guanine nucleotide releasing factor	0.0037	0.0186	0.0167
Trichomonas vaginalis	hypothetical protein	0.0037	0.0186	0.122
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Brugia malayi	Pre-SET motif family protein	0.0225	0.1284	0.4921
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Brugia malayi	PH domain containing protein	0.0037	0.0186	0.0614
Schistosoma mansoni	goodpasture antigen-binding protein	0.0037	0.0186	0.0186
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Trypanosoma brucei	rac serine-threonine kinase, putative	0.0042	0.0214	1
Loa Loa (eye worm)	AGC/GRK/GRK protein kinase	0.0447	0.2578	0.2556
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1145	0.1118
Entamoeba histolytica	protein kinase, putative	0.0042	0.0214	0.0295
Trypanosoma cruzi	NIMA-related kinase, putative	0.0042	0.0214	1
Brugia malayi	Pleckstrin Homology Domain	0.0037	0.0186	0.0614
Brugia malayi	GTPase-activator protein for Ras-like GTPase containing protein	0.0037	0.0186	0.0614
Schistosoma mansoni	goodpasture antigen-binding protein	0.0037	0.0186	0.0186
Brugia malayi	PH domain containing protein	0.0037	0.0186	0.0614
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0179	0.1174
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0237	0.0218
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0447	0.2578	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Schistosoma mansoni	serine/threonine-protein kinase	0.0042	0.0214	0.0214
Schistosoma mansoni	hypothetical protein	0.0442	0.2547	0.2547
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Echinococcus multilocularis	Pleckstrin y	0.0037	0.0186	0.0167
Leishmania major	folate/biopterin transporter, putative	0.0042	0.0214	1
Brugia malayi	TBC domain containing protein	0.0037	0.0186	0.0614
Schistosoma mansoni	hypothetical protein	0.0037	0.0186	0.0186
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.0037	0.0186	0.0614
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0202	0.1145	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Onchocerca volvulus		0.0037	0.0186	0.0286
Echinococcus granulosus	[G-protein-coupledreceptor] kinase	0.0245	0.14	0.1384
Mycobacterium ulcerans	lipase LipD	0.0036	0.0179	0.5
Echinococcus multilocularis	ras specific guanine nucleotide releasing factor	0.0037	0.0186	0.0167
Loa Loa (eye worm)	Plekhf2 protein	0.0037	0.0186	0.0156
Schistosoma mansoni	centaurin alpha	0.0037	0.0186	0.0186
Loa Loa (eye worm)	oxysterol binding protein	0.0037	0.0186	0.0156
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Onchocerca volvulus		0.0037	0.0186	0.0286
Schistosoma mansoni	rho gtpase activating protein	0.0037	0.0186	0.0186
Brugia malayi	PXA domain containing protein	0.0202	0.1145	0.4377
Schistosoma mansoni	regulator of G protein signaling 3 rgs3	0.0202	0.1145	0.1145
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0042	0.0214	1
Echinococcus multilocularis	GPCR, family 2	0.0017	0.0067	0.0048
Schistosoma mansoni	hypothetical protein	0.0037	0.0182	0.0182
Brugia malayi	hypothetical protein	0.0202	0.1145	0.4377
Brugia malayi	beta-lactamase	0.0036	0.0179	0.0588
Echinococcus multilocularis	Regulator of G protein signaling 20	0.0202	0.1145	0.1128
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Onchocerca volvulus	outspread protein homolog	0.0037	0.0186	0.0286
Echinococcus granulosus	cpg binding protein	0.0033	0.0159	0.014
Leishmania major	hypothetical protein, conserved	0.0037	0.0186	0.1895
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0046	0.0237	0.0207
Brugia malayi	Oxysterol binding protein	0.0037	0.0186	0.0614
Echinococcus granulosus	regulator of G protein signaling 3	0.0202	0.1145	0.1128
Entamoeba histolytica	protein kinase, putative	0.0042	0.0214	0.0295
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0179	0.1174
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0009	0.0019	0.0019
Echinococcus granulosus	arf GAP with SH3 domain ANK repeat and PH	0.0037	0.0186	0.0167
Brugia malayi	GTP-ase activating protein for Arf containing protein	0.0037	0.0186	0.0614
Echinococcus granulosus	G protein coupled receptor kinase 1	0.1516	0.8822	0.882
Trypanosoma cruzi	hypothetical protein	0.0037	0.0186	0.1895
Echinococcus granulosus	5'partial\|histone lysine N methyltransferase SETDB2	0.0031	0.0148	0.013
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0067
Echinococcus granulosus	axis inhibition protein axin	0.0202	0.1145	0.1128
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Schistosoma mansoni	guanyl-nucleotide exchange factor	0.0037	0.0186	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1145	0.1118
Brugia malayi	PH domain containing protein	0.0037	0.0186	0.0614
Trypanosoma brucei	serine/threonine-protein kinase NrkA	0.0042	0.0214	1
Trichomonas vaginalis	ankyrin 2,3/unc44, putative	0.0037	0.0186	0.122
Schistosoma mansoni	regulator of G protein signaling 17 19 20 (rgs17 19 20)	0.0202	0.1145	0.1145
Loa Loa (eye worm)	hypothetical protein	0.0156	0.0877	0.085
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Loa Loa (eye worm)	pre-SET domain-containing protein family protein	0.0225	0.1284	0.1257
Brugia malayi	PH domain containing protein	0.0037	0.0186	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0017	0.0067	0.0037
Plasmodium falciparum	calcium-dependent protein kinase 7	0.0042	0.0214	1
Echinococcus granulosus	dnaJ subfamily B	0.0442	0.2547	0.2532
Loa Loa (eye worm)	pigment dispersing factor receptor c	0.0054	0.0281	0.0252
Schistosoma mansoni	hypothetical protein	0.0037	0.0186	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Loa Loa (eye worm)	variant SH3 domain-containing protein	0.0037	0.0186	0.0156
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Entamoeba histolytica	hypothetical protein	0.0202	0.1145	1
Schistosoma mansoni	phosphoinositol 4-phosphate adaptor protein	0.0037	0.0186	0.0186
Trypanosoma cruzi	PH domain containing protein, putative	0.0037	0.0186	0.1895
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Trypanosoma brucei	serine/threonine-protein kinase NRKB, putative	0.0042	0.0214	1
Echinococcus granulosus	collagen type iv alpha 3 binding protein	0.0037	0.0186	0.0167
Schistosoma mansoni	hypothetical protein	0.0037	0.0186	0.0186
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0159	0.0159
Echinococcus multilocularis	regulator of G protein signaling 7	0.0202	0.1145	0.1128
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Schistosoma mansoni	serine/threonine-protein kinase	0.0042	0.0214	0.0214
Brugia malayi	Latrophilin receptor protein 2	0.0017	0.0067	0.0146
Brugia malayi	PH domain containing protein	0.0037	0.0186	0.0614
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Brugia malayi	Dynamin	0.0037	0.0186	0.0614
Trypanosoma cruzi	NIMA-related kinase, putative	0.0042	0.0214	1
Echinococcus multilocularis	collagen type iv alpha 3 binding protein	0.0037	0.0186	0.0167
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Onchocerca volvulus		0.0037	0.0186	0.0286
Trypanosoma cruzi	Protein kinase B	0.0042	0.0214	1
Loa Loa (eye worm)	G protein-coupled receptor kinase 1	0.0245	0.14	0.1374
Entamoeba histolytica	protein kinase, putative	0.0042	0.0214	0.0295
Schistosoma mansoni	regulator of G protein signaling	0.0202	0.1145	0.1145
Schistosoma mansoni	syntrophin	0.0037	0.0186	0.0186
Schistosoma mansoni	serine/threonine protein kinase	0.0447	0.2578	0.2578
Schistosoma mansoni	histone-lysine n-methyltransferase setb1	0.0033	0.0159	0.0159
Echinococcus multilocularis	Rho GTPase activating protein 24	0.0037	0.0186	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0179	0.015
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0202	0.1145	0.4377
Trichomonas vaginalis	regulator of G protein signaling 5, rgs5, putative	0.0202	0.1145	0.7803
Brugia malayi	Syntrophin-1	0.0037	0.0186	0.0614
Onchocerca volvulus		0.0037	0.0186	0.0286
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Echinococcus multilocularis	muscleblind protein	0.0156	0.0877	0.086
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0159	0.013
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1145	0.1118
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0046	0.0237	0.0218
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Echinococcus granulosus	Regulator of G protein signaling 20	0.0202	0.1145	0.1128
Leishmania major	protein kinase, putative	0.0042	0.0214	1
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Schistosoma mansoni	development and differentiation-enhancing factor ddef	0.0037	0.0186	0.0186
Onchocerca volvulus		0.0037	0.0186	0.0286
Schistosoma mansoni	cpg binding protein	0.0031	0.0148	0.0148
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Entamoeba histolytica	ARF GTPase activating protein, putative	0.0037	0.0186	0.000000082221
Echinococcus multilocularis	G protein coupled receptor kinase 6	0.0245	0.14	0.1384
Echinococcus multilocularis	regulator of G protein signaling 3	0.0202	0.1145	0.1128
Brugia malayi	CXXC zinc finger family protein	0.0031	0.0148	0.0466
Onchocerca volvulus		0.0037	0.0186	0.0286
Loa Loa (eye worm)	syntrophin-1	0.0037	0.0186	0.0156
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Echinococcus multilocularis	arf GAP with SH3 domain, ANK repeat and PH	0.0037	0.0186	0.0167
Brugia malayi	Oxysterol-binding protein	0.0037	0.0186	0.0614
Trypanosoma cruzi	phosphatidylinositol-4-phosphate 5-kinase, putative	0.0037	0.0186	0.1895
Mycobacterium ulcerans	fusion of enoyl-CoA hydratase, EchA21 and lipase, LipE	0.0036	0.0179	0.5
Echinococcus multilocularis	G protein coupled receptor kinase 1	0.1516	0.8822	0.882
Echinococcus multilocularis	histone lysine methyltransferase setb histone lysine methyltransferase eggless	0.0033	0.0159	0.0141
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Echinococcus multilocularis	beta adrenergic receptor kinase	0.1718	1	1
Entamoeba histolytica	p21-activated kinase	0.0042	0.0214	0.0295
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0179	0.1174
Mycobacterium tuberculosis	Possible penicillin-binding protein	0.0232	0.1322	1
Echinococcus granulosus	Rho GTPase activating protein 24	0.0037	0.0186	0.0167
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Trypanosoma cruzi	hypothetical protein	0.0037	0.0186	0.1895
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0067
Loa Loa (eye worm)	RGS-3 protein	0.0202	0.1145	0.1118
Echinococcus multilocularis	Oxysterol binding protein 11	0.0037	0.0186	0.0167
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0237	0.0237
Brugia malayi	hypothetical protein	0.0202	0.1145	0.4377
Echinococcus multilocularis	A kinase anchor protein 10, mitochondrial	0.0202	0.1145	0.1128
Echinococcus multilocularis	Pleckstrin y	0.0037	0.0186	0.0167
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Schistosoma mansoni	rhogef and pleckstrin domain protein	0.0037	0.0186	0.0186
Echinococcus multilocularis	oxysterol binding protein 1	0.0037	0.0186	0.0167
Echinococcus granulosus	cadherin EGF LAG seven pass G type receptor	0.0017	0.0067	0.0048
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1145	0.1118
Echinococcus multilocularis	pdz domain containing protein	0.0037	0.0186	0.0167
Brugia malayi	Plekhf2 protein	0.0037	0.0186	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0054	0.0281	0.0252
Echinococcus multilocularis	oxysterol binding protein 9	0.0037	0.0186	0.0167
Schistosoma mansoni	axis inhibition protein axin	0.0202	0.1145	0.1145
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Trypanosoma cruzi	hypothetical protein	0.0037	0.0186	0.1895
Trypanosoma cruzi	hypothetical protein	0.0037	0.0186	0.1895
Schistosoma mansoni	mixed-lineage leukemia protein mll	0.0067	0.0358	0.0358
Trypanosoma cruzi	serine/threonine protein kinase, putative	0.0042	0.0214	1
Schistosoma mansoni	oxysterol-binding protein 1	0.0037	0.0186	0.0186
Schistosoma mansoni	cpg binding protein	0.0033	0.0159	0.0159
Echinococcus multilocularis	FERM and pleckstrin domain containing protein	0.0037	0.0186	0.0167
Brugia malayi	Muscleblind-like protein	0.0156	0.0877	0.3326
Schistosoma mansoni	hypothetical protein	0.0017	0.0067	0.0067
Entamoeba histolytica	protein kinase, putative	0.0042	0.0214	0.0295
Echinococcus multilocularis	regulator of G protein signaling 3	0.0202	0.1145	0.1128
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Echinococcus multilocularis	cytohesin 1	0.0037	0.0186	0.0167
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0042	0.0214	1
Trypanosoma cruzi	hypothetical protein	0.0037	0.0186	0.1895
Echinococcus granulosus	histone lysine methyltransferase setb	0.0033	0.0159	0.0141
Trypanosoma cruzi	rac serine-threonine kinase, putative	0.0042	0.0214	1
Echinococcus multilocularis	rac serine:threonine kinase	0.0042	0.0214	0.0195
Entamoeba histolytica	protein kinase, putative	0.0042	0.0214	0.0295
Echinococcus multilocularis	expressed protein	0.0202	0.1145	0.1128
Trypanosoma cruzi	PH domain containing protein, putative	0.0037	0.0186	0.1895
Onchocerca volvulus	Putative neuronal RhoA GEF protein	0.0037	0.0186	0.0286
Echinococcus granulosus	type II inositol 34 bisphosphate 4 phosphatase	0.0037	0.0186	0.0167
Trichomonas vaginalis	penicillin-binding protein, putative	0.0036	0.0179	0.1174
Brugia malayi	Variant SH3 domain containing protein	0.0037	0.0186	0.0614
Echinococcus granulosus	beta 1 syntrophin	0.0037	0.0186	0.0167
Trichomonas vaginalis	D-aminoacylase, putative	0.0036	0.0179	0.1174
Loa Loa (eye worm)	cytohesin 3	0.0037	0.0186	0.0156
Brugia malayi	Regulator of G protein signaling domain containing protein	0.0202	0.1145	0.4377
Brugia malayi	probable spectrin beta chain	0.0037	0.0186	0.0614
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0042	0.0214	1
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0046	0.0237	0.0237
Echinococcus granulosus	DCC interacting protein 13 beta	0.0037	0.0186	0.0167
Trichomonas vaginalis	centaurin gamma, putative	0.0037	0.0186	0.122
Echinococcus granulosus	serine/threonine protein kinase	0.0042	0.0214	0.0195
Echinococcus multilocularis	cadherin EGF LAG seven pass G type receptor	0.0017	0.0067	0.0048
Brugia malayi	beta-lactamase family protein	0.0036	0.0179	0.0588
Trichomonas vaginalis	centaurin/arf, putative	0.0037	0.0186	0.122
Loa Loa (eye worm)	beta-LACTamase domain containing family member	0.0036	0.0179	0.015
Plasmodium vivax	PH domain containing protein	0.0037	0.0186	0.4833
Loa Loa (eye worm)	CXXC zinc finger family protein	0.0031	0.0148	0.0119
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0182	0.0152
Trypanosoma cruzi	hypothetical protein	0.0037	0.0186	0.1895
Echinococcus granulosus	axis inhibition protein axin	0.0202	0.1145	0.1128
Brugia malayi	Probable G protein-coupled receptor kinase F19C6.1, putative	0.0245	0.14	0.5379
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Echinococcus granulosus	dynamin 1	0.0037	0.0186	0.0167
Echinococcus granulosus	histone lysine N methyltransferase MLL3	0.0011	0.003	0.0011
Echinococcus multilocularis	actin binding protein anillin	0.0037	0.0186	0.0167
Echinococcus multilocularis	pleckstrin y domain containing family A	0.0037	0.0186	0.0167
Trichomonas vaginalis	guanyl-nucleotide exchange factor, putative	0.0037	0.0186	0.122
Echinococcus granulosus	Pleckstrin y	0.0037	0.0186	0.0167
Echinococcus multilocularis	Pleckstrin domain containing protein, family B	0.0037	0.0186	0.0167
Trypanosoma cruzi	serine/threonine-protein kinase NRKB, putative	0.0042	0.0214	1
Echinococcus multilocularis	regulator of G protein signaling 7	0.0202	0.1145	0.1128
Entamoeba histolytica	hypothetical protein	0.0202	0.1145	1
Trypanosoma brucei	PH domain containing protein, putative	0.0037	0.0186	0.1895
Brugia malayi	Corticotropin releasing factor receptor 2 precursor, putative	0.0054	0.0281	0.0989
Onchocerca volvulus		0.0033	0.0159	0.0084
Echinococcus multilocularis	myotubularin protein 13	0.0037	0.0186	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0179	0.015
Echinococcus granulosus	GPCR family 2	0.0017	0.0067	0.0048
Schistosoma mansoni	zinc finger protein	0.0037	0.0186	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Schistosoma mansoni	zinc finger protein	0.0037	0.0186	0.0186
Loa Loa (eye worm)	AGC/AKT protein kinase	0.0042	0.0214	0.0185
Schistosoma mansoni	regulator of G protein signaling	0.0202	0.1145	0.1145
Trichomonas vaginalis	centaurin alpha, putative	0.0037	0.0186	0.122
Brugia malayi	regulator of G-protein signaling rgs-7	0.0202	0.1145	0.4377
Brugia malayi	Pre-SET motif family protein	0.0033	0.0159	0.051
Trypanosoma cruzi	ADP-ribosylation factor family, putative	0.0037	0.0186	0.1895
Echinococcus granulosus	GRB2 associated binding protein 3	0.0037	0.0186	0.0167
Echinococcus granulosus	cytohesin 1	0.0037	0.0186	0.0167
Echinococcus multilocularis	beta LACTamase domain containing family member	0.0036	0.0179	0.016
Brugia malayi	Dynamin	0.0037	0.0186	0.0614
Loa Loa (eye worm)	AGC/GRK/BARK protein kinase	0.1718	1	1
Echinococcus granulosus	Pleckstrin y	0.0037	0.0186	0.0167
Brugia malayi	latrophilin 2 splice variant baaae	0.0037	0.0182	0.0599
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0046	0.0237	0.0218
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0042	0.0214	1
Mycobacterium leprae	conserved hypothetical protein	0.0036	0.0179	0.5
Echinococcus granulosus	beta LACTamase domain containing family member	0.0036	0.0179	0.016
Brugia malayi	PH domain containing protein	0.0037	0.0186	0.0614
Leishmania major	hypothetical protein, conserved	0.0037	0.0186	0.1895
Entamoeba histolytica	protein kinase, putative	0.0042	0.0214	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0202	0.1145	0.1118
Onchocerca volvulus	Putative zinc finger protein	0.0037	0.0186	0.0286
Entamoeba histolytica	hypothetical protein	0.0202	0.1145	1
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0179	0.015
Mycobacterium leprae	Probable lipase LipE	0.0036	0.0179	0.5
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Trichomonas vaginalis	3-phosphoinositide dependent protein kinase-1, putative	0.0042	0.0214	0.1414
Echinococcus granulosus	Pleckstrin y	0.0037	0.0186	0.0167
Schistosoma mansoni	myotubularin-related protein	0.0037	0.0186	0.0186
Toxoplasma gondii	AtPH1 family protein	0.0037	0.0186	0.1679
Echinococcus multilocularis	beta 1 syntrophin	0.0037	0.0186	0.0167
Echinococcus multilocularis	GRB2 associated binding protein 3	0.0037	0.0186	0.0167
Schistosoma mansoni	dynamin	0.0037	0.0186	0.0186
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0179	0.015
Schistosoma mansoni	growth factor receptor-bound protein	0.0037	0.0186	0.0186
Toxoplasma gondii	hypothetical protein	0.0037	0.0186	0.1679
Loa Loa (eye worm)	G protein signaling regulator EGL-10	0.0202	0.1145	0.1118
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Brugia malayi	Cytohesin 3	0.0037	0.0186	0.0614
Echinococcus multilocularis	type II inositol 3,4 bisphosphate 4 phosphatase	0.0037	0.0186	0.0167
Echinococcus multilocularis	dynamin 1	0.0037	0.0186	0.0167
Echinococcus granulosus	FERM and pleckstrin domain containing protein	0.0037	0.0186	0.0167
Trichomonas vaginalis	development and differentiation-enhancing factor, ddef, putative	0.0037	0.0186	0.122
Brugia malayi	calcium-independent alpha-latrotoxin receptor 2, putative	0.0017	0.0067	0.0146
Onchocerca volvulus		0.0036	0.0179	0.0235
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Trichomonas vaginalis	AGC family protein kinase	0.0042	0.0214	0.1414
Trypanosoma cruzi	Serine/threonine-protein kinase NEK17, putative	0.0042	0.0214	1
Trypanosoma cruzi	Serine/threonine-protein kinase NEK21, putative	0.0042	0.0214	1
Trypanosoma brucei	NEK family Serine/threonine-protein kinase, putative	0.0042	0.0214	1
Brugia malayi	Variant SH3 domain containing protein	0.0037	0.0186	0.0614
Trypanosoma cruzi	NEK family Serine/threonine-protein kinase, putative	0.0037	0.0186	0.1895
Echinococcus multilocularis	histone lysine N methyltransferase SETMAR	0.0033	0.0159	0.0141
Echinococcus multilocularis	oxysterol binding protein 3	0.0037	0.0186	0.0167
Echinococcus multilocularis	DCC interacting protein 13 beta	0.0037	0.0186	0.0167
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Echinococcus granulosus	Arf GAP and Pleckstrin domain containing protein	0.0037	0.0186	0.0167
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0179	0.015
Onchocerca volvulus	Protein melted homolog	0.0037	0.0186	0.0286
Trypanosoma brucei	Serine/threonine-protein kinase NEK21, putative	0.0042	0.0214	1
Trypanosoma cruzi	PH domain containing protein, putative	0.0037	0.0186	0.1895
Schistosoma mansoni	histone-lysine n-methyltransferase suv9	0.0033	0.0159	0.0159
Mycobacterium ulcerans	esterase/lipase LipP	0.0036	0.0179	0.5
Echinococcus multilocularis	diuretic hormone 44 receptor GPRdih2	0.0017	0.0067	0.0048
Echinococcus granulosus	Oxysterol binding protein 11	0.0037	0.0186	0.0167
Trichomonas vaginalis	conserved hypothetical protein	0.0202	0.1145	0.7803
Trichomonas vaginalis	ribosomal protein S6 kinase, 90kD, polypeptide, putative	0.0042	0.0214	0.1414
Echinococcus granulosus	diuretic hormone 44 receptor GPRdih2	0.0017	0.0067	0.0048
Loa Loa (eye worm)	GTP-ase activating protein for Arf containing protein	0.0037	0.0186	0.0156
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0042	0.0214	0.0295
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0042	0.0214	0.0295
Plasmodium vivax	conserved Plasmodium protein, unknown function	0.0037	0.0186	0.4833
Trichomonas vaginalis	set domain proteins, putative	0.0256	0.1465	1
Schistosoma mansoni	z-protein (S1r protein)	0.0202	0.1145	0.1145
Schistosoma mansoni	regulator of G protein signaling	0.0202	0.1145	0.1145
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0042	0.0214	0.0295
Echinococcus multilocularis	dnaJ subfamily B	0.0442	0.2547	0.2532
Toxoplasma gondii	histone lysine methyltransferase SET1	0.006	0.0317	1
Echinococcus granulosus	oxysterol binding protein 9	0.0037	0.0186	0.0167
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0179	0.0179
Schistosoma mansoni	cpg binding protein	0.0033	0.0159	0.0159
Echinococcus multilocularis	arf GAP with coiled coil, ANK repeat and PH	0.0037	0.0186	0.0167
Entamoeba histolytica	hypothetical protein	0.0042	0.0214	0.0295
Loa Loa (eye worm)	hypothetical protein	0.0037	0.0186	0.0156
Brugia malayi	regulator of G-protein signaling egl-10	0.0202	0.1145	0.4377
Trichomonas vaginalis	ankyrin repeat-containing protein, putative	0.0037	0.0186	0.122
Echinococcus multilocularis	Ras associated and pleckstrin y	0.0037	0.0186	0.0167
Brugia malayi	Protein kinase domain containing protein	0.0042	0.0214	0.0725
Echinococcus multilocularis	cpg binding protein	0.0033	0.0159	0.014
Onchocerca volvulus	Abnormal cell migration protein 10 homolog	0.0037	0.0186	0.0286
Brugia malayi	PXA domain containing protein	0.0202	0.1145	0.4377
Trypanosoma cruzi	hypothetical protein	0.0037	0.0186	0.1895
Echinococcus granulosus	Pleckstrin domain containing protein family B	0.0037	0.0186	0.0167
Trichomonas vaginalis	protein transport protein sec7, putative	0.0037	0.0186	0.122
Schistosoma mansoni	dynamin	0.0037	0.0186	0.0186
Echinococcus granulosus	calcium dependent secretion activator 1	0.0037	0.0186	0.0167
Brugia malayi	beta-lactamase family protein	0.0036	0.0179	0.0588
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0042	0.0214	0.0295
Schistosoma mansoni	vav2	0.0037	0.0186	0.0186
Entamoeba histolytica	PH domain containing protein kinase, putative	0.0042	0.0214	0.0295
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Echinococcus multilocularis	axis inhibition protein axin	0.0202	0.1145	0.1128
Trichomonas vaginalis	protein transport protein sec7, putative	0.0037	0.0186	0.122
Onchocerca volvulus		0.0036	0.0179	0.0235
Echinococcus granulosus	myotubularin protein 13	0.0037	0.0186	0.0167
Echinococcus multilocularis	muscleblind protein 1	0.0156	0.0877	0.086
Schistosoma mansoni	family S12 unassigned peptidase (S12 family)	0.0036	0.0179	0.0179
Trichomonas vaginalis	conserved hypothetical protein	0.0037	0.0186	0.122
Brugia malayi	hypothetical protein	0.0037	0.0186	0.0614

Activities

Activity type	Activity value	Assay description	Source	Reference
GI50 (functional)	= 5.7 uM	Growth inhibition of estrogen-sensitive human MCF7 cells after 72 hrs by MTT assay	ChEMBL.	24025069
IC50 (binding)		Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate	ChEMBL.	24025069
IC50 (binding)		Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor	ChEMBL.	24025069
IC50 (binding)	= 4152 nM	Inhibition of aromatase (unknown origin) using 7-methoxy-4-trifluoromethylcoumarin as substrate after 30 mins by fluorimetric analysis	ChEMBL.	24025069
Inhibition (binding)		Inhibition of CYP19 in human H295R cells using [1beta-3H(N)]-androst-4-ene-3,17-dione at 10 uM after 24 hrs by tritiated water release assay	ChEMBL.	24025069

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: CHEMBL2442754

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1792554