TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 344.406 | Formula: C22H20N2O2
H donors: 0 H acceptors: 2 LogP: 4.45 Rotable bonds: 5
Rule of 5 violations (Lipinski): 1
SMILES: CCOC(=O)c1cc(nc2c1c1ccn(c1cc2)CC)c1ccccc1
InChi: 1S/C22H20N2O2/c1-3-24-13-12-16-20(24)11-10-18-21(16)17(22(25)26-4-2)14-19(23-18)15-8-6-5-7-9-15/h5-14H,3-4H2,1-2H3
InChiKey: PYLPOLKFNUFZTJ-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
Chlamydia trachomatis	proline--tRNA ligase	0.0012	0.0134	0.2978
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0036	0.0611	0.2648
Schistosoma mansoni	glucose transporter	0.0016	0.0217	0.0894
Mycobacterium ulcerans	threonyl-tRNA synthetase	0.0007	0.0016	0.0377
Toxoplasma gondii	lysine-tRNA ligase	0.0026	0.0414	0.0625
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0026	0.0414	0.5783
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0611	0.2648
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0621	0.868
Echinococcus granulosus	solute carrier family 22	0.0016	0.0217	0.0894
Entamoeba histolytica	hypothetical protein	0.0026	0.0414	0.6679
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trypanosoma brucei	glycyl-tRNA synthetase, putative	0.0007	0.0016	0.0218
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0016	0.0217	0.6499
Trypanosoma cruzi	hexose transporter, putative	0.0016	0.0217	0.303
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0036	0.0612	0.0597
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0414	0.1769
Loa Loa (eye worm)	hypothetical protein	0.0036	0.0611	0.2648
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0217	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0621	0.868
Echinococcus multilocularis	lysyl tRNA synthetase	0.0026	0.0414	0.1769
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0036	0.0611	0.2648
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0117	0.2266	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Onchocerca volvulus		0.0016	0.0217	0.5
Onchocerca volvulus		0.0016	0.0217	0.5
Brugia malayi	Sugar transporter family protein	0.0016	0.0217	0.0894
Trypanosoma cruzi	hexose transporter	0.0036	0.0621	0.868
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trypanosoma cruzi	hexose transporter, putative	0.002	0.0286	0.3994
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Schistosoma mansoni	protein kinase	0.0036	0.0611	0.2648
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0217	0.0956
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0023	0.0348	0.1536
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Loa Loa (eye worm)	sugar transporter	0.0016	0.0217	0.0894
Trypanosoma brucei	threonyl-tRNA synthetase, putative	0.0007	0.0016	0.0218
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0007	0.0016	0.0218
Brugia malayi	hypothetical protein	0.0016	0.0217	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0621	0.274
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Brugia malayi	Sugar transporter family protein	0.0016	0.0217	0.0894
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0035	0.0597	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.0022	0.0333	1
Schistosoma mansoni	lysyl-tRNA synthetase	0.0026	0.0414	0.1769
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0035	0.0597	0.2634
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0597	0.2583
Brugia malayi	lysyl-tRNA synthetase	0.0026	0.0414	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Onchocerca volvulus	Putative transporter	0.0016	0.0217	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Plasmodium vivax	hexose transporter	0.0117	0.2266	0.2253
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0036	0.0612	0.0597
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0036	0.0611	0.855
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0016	0.0217	0.0894
Trypanosoma cruzi	sugar transporter, putative	0.0016	0.0217	0.303
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0217	0.0894
Brugia malayi	hypothetical protein	0.0016	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0035	0.0597	0.9752
Giardia lamblia	Prolyl-tRNA synthetase	0.0035	0.0597	1
Treponema pallidum	prolyl-tRNA synthetase	0.0012	0.0134	1
Schistosoma mansoni	sugar transporter	0.0016	0.0217	0.0894
Echinococcus granulosus	synaptic vesicle 2 protein	0.0016	0.0217	0.0894
Leishmania major	myo-inositol/proton symporter (MIT)	0.0016	0.0217	0.303
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0036	0.0611	0.2648
Onchocerca volvulus		0.0016	0.0217	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0621	0.274
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0611	0.2648
Toxoplasma gondii	protein kinase, putative	0.0331	0.6617	1
Schistosoma mansoni	glucose transport protein	0.0117	0.2266	1
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0036	0.0612	0.0925
Trichomonas vaginalis	glucose transporter, putative	0.0036	0.0621	0.274
Echinococcus granulosus	solute carrier family 22	0.0016	0.0217	0.0894
Leishmania major	hypothetical protein, conserved	0.0016	0.0217	0.303
Schistosoma mansoni	glucose transport protein	0.0117	0.2266	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0117	0.2266	0.3424
Trypanosoma brucei	glucose transporter 1E	0.0036	0.0621	0.868
Schistosoma mansoni	protein kinase	0.0036	0.0611	0.2648
Toxoplasma gondii	transporter, major facilitator family protein	0.0016	0.0217	0.0327
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0036	0.0612	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.0715	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trypanosoma cruzi	threonyl-tRNA synthetase, putative	0.0007	0.0016	0.0218
Schistosoma mansoni	sugar transporter	0.0016	0.0217	0.0894
Onchocerca volvulus		0.0016	0.0217	0.5
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0014	0.0175	0.0709
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0611	0.2648
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0117	0.2266	1
Echinococcus multilocularis	calcium dependent protein kinase	0.0034	0.0566	0.2448
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Entamoeba histolytica	protein kinase, putative	0.0036	0.0611	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0597	0.2583
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0621	0.868
Onchocerca volvulus		0.0016	0.0217	0.5
Trichomonas vaginalis	glucose transporter, putative	0.0016	0.0217	0.0956
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0333	1
Loa Loa (eye worm)	sugar transporter	0.0117	0.2266	1
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0026	0.0414	0.5783
Leishmania major	glucose transporter, lmgt1	0.0036	0.0621	0.868
Toxoplasma gondii	sugar transporter ST3	0.0016	0.0217	0.0327
Trypanosoma brucei	sugar transporter, putative	0.0016	0.0217	0.303
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0621	0.868
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0117	0.2266	1
Trypanosoma brucei	glucose transporter 2A	0.0036	0.0621	0.868
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0217	0.0956
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0611	0.2648
Schistosoma mansoni	glucose transport protein	0.0117	0.2266	1
Loa Loa (eye worm)	hypothetical protein	0.0035	0.0597	0.2583
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0217	0.0894
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0016	0.0217	0.5239
Toxoplasma gondii	threonyl-tRNA synthetase family protein	0.0007	0.0016	0.0024
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Echinococcus granulosus	calcium dependent protein kinase	0.0034	0.0566	0.2448
Plasmodium vivax	lysine--tRNA ligase, putative	0.0026	0.0414	0.0399
Giardia lamblia	Lysyl-tRNA synthetase	0.0026	0.0414	0.6849
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0036	0.0612	0.0597
Onchocerca volvulus		0.0016	0.0217	0.5
Plasmodium falciparum	hexose transporter	0.0117	0.2266	0.2253
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0117	0.2266	1
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0036	0.0612	0.0597
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0621	0.868
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0117	0.2266	1
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0621	0.868
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0016	0.0217	0.5239
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0217	0.0956
Plasmodium falciparum	proline--tRNA ligase	0.0041	0.0715	0.0701
Toxoplasma gondii	sugar transporter ST1	0.0016	0.0217	0.0327
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0036	0.0611	0.2648
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0035	0.0597	0.2583
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0026	0.0414	0.6932
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.0715	1
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0621	0.274
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0597	0.2583
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0035	0.0597	0.2583
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0035	0.0597	0.2583
Trichomonas vaginalis	conserved hypothetical protein	0.0117	0.2266	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Mycobacterium ulcerans	glycyl-tRNA synthetase	0.0007	0.0016	0.0377
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0217	0.0956
Trichomonas vaginalis	conserved hypothetical protein	0.0016	0.0217	0.0956
Leishmania major	lysyl-tRNA synthetase, putative	0.0026	0.0414	0.5783
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0035	0.0597	0.2583
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0117	0.2266	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0217	0.0894
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0041	0.0715	0.1081
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0497	1	1
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0217	0.0894
Echinococcus multilocularis	General substrate transporter	0.0101	0.193	0.851
Trichomonas vaginalis	CAMK family protein kinase	0.0036	0.0611	0.2699
Echinococcus granulosus	solute carrier family 22	0.0016	0.0217	0.0894
Onchocerca volvulus		0.0016	0.0217	0.5
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0621	0.868
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0621	0.868
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0036	0.0612	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0621	0.274
Mycobacterium ulcerans	integral membrane transport protein	0.0016	0.0217	0.5239
Brugia malayi	Sugar transporter family protein	0.0117	0.2266	1
Trichomonas vaginalis	myo-inositol transporter, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Schistosoma mansoni	sugar transporter	0.0016	0.0217	0.0894
Onchocerca volvulus		0.0016	0.0217	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0016	0.0217	0.0894
Schistosoma mansoni	sugar transporter	0.0016	0.0217	0.0894
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0189	0.3734	0.3724
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0016	0.0217	0.0894
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0621	0.868
Onchocerca volvulus		0.0016	0.0217	0.5
Trichomonas vaginalis	sugar transport protein, putative	0.0016	0.0217	0.0956
Trichomonas vaginalis	threonyl-tRNA synthetase, putative	0.0007	0.0016	0.0069
Plasmodium vivax	sugar transporter, putative	0.0016	0.0217	0.0201
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0041	0.0715	1
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0036	0.0621	0.868
Brugia malayi	major facilitator superfamily protein	0.0016	0.0217	0.0894
Plasmodium vivax	proline--tRNA ligase, putative	0.0041	0.0715	0.0701
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0016	0.0217	0.303
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0036	0.0612	0.0925
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0217	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0029	0.0463	0.1987
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0036	0.0612	0.0597
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0036	0.0612	0.0925
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Chlamydia trachomatis	lysine--tRNA ligase	0.0026	0.0414	1
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0036	0.0621	0.868
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0414	0.1769
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0621	0.868
Onchocerca volvulus		0.0016	0.0217	0.5
Trypanosoma cruzi	glucose transporter, putative	0.0016	0.0217	0.303
Brugia malayi	Major Facilitator Superfamily protein	0.0016	0.0217	0.0894
Onchocerca volvulus		0.0016	0.0217	0.5
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0036	0.0612	0.0597
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0611	0.2648
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0016	0.0217	0.0894
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0016	0.0217	0.6499
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0036	0.0611	0.2648
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0016	0.0217	1
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Echinococcus granulosus	lysyl tRNA synthetase	0.0026	0.0414	0.1769
Echinococcus granulosus	solute carrier family 22	0.0016	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Toxoplasma gondii	glycyl-tRNA synthetase	0.0007	0.0016	0.0024
Echinococcus multilocularis	solute carrier family 22	0.0016	0.0217	0.0894
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0621	0.868
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0189	0.3734	0.3724
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0041	0.0715	1
Trypanosoma brucei	glucose transporter, putative	0.0036	0.0621	0.868
Schistosoma mansoni	hypothetical protein	0.0117	0.2266	1
Mycobacterium ulcerans	sugar transporter	0.0016	0.0217	0.5239
Onchocerca volvulus		0.0016	0.0217	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Echinococcus granulosus	General substrate transporter	0.0101	0.193	0.851
Plasmodium falciparum	lysine--tRNA ligase	0.0026	0.0414	0.0399
Giardia lamblia	Sugar-proton symporter	0.0016	0.0217	0.346
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0026	0.0414	0.1826
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Brugia malayi	hypothetical protein	0.0016	0.0217	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0117	0.2266	1
Giardia lamblia	Hexose transporter	0.0016	0.0217	0.346
Brugia malayi	Cam kinase protein 1	0.0036	0.0611	0.2648
Leishmania major	threonyl-tRNA synthetase, putative	0.0007	0.0016	0.0218
Onchocerca volvulus		0.0016	0.0217	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0016	0.0217	0.0201
Schistosoma mansoni	protein kinase	0.0036	0.0611	0.2648
Plasmodium falciparum	protein kinase 7	0.0331	0.6617	0.6612
Leishmania major	protein kinase, putative	0.0036	0.0611	0.855
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0117	0.2266	1
Mycobacterium leprae	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase) (ThrRS) (Threonine-tRNA ligase)	0.0007	0.0016	0.0262
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0016	0.0217	0.0894
Leishmania major	glucose transporter, lmgt2	0.0036	0.0621	0.868
Mycobacterium tuberculosis	Probable threonyl-tRNA synthetase ThrS (threonine-tRNA synthetase)(ThrRS) (threonine-tRNA ligase)	0.0007	0.0016	0.0468
Entamoeba histolytica	protein kinase, putative	0.0036	0.0611	1
Onchocerca volvulus		0.0016	0.0217	0.5
Loa Loa (eye worm)	hypothetical protein	0.0016	0.0217	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0016	0.0217	0.0956
Brugia malayi	major facilitator superfamily protein	0.0016	0.0217	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0036	0.0621	0.274
Trypanosoma cruzi	hexose transporter, putative	0.0036	0.0621	0.868
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0036	0.0611	0.2648
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0189	0.3734	0.5643
Onchocerca volvulus		0.0016	0.0217	0.5
Toxoplasma gondii	sugar transporter ST2	0.0016	0.0217	0.0327
Onchocerca volvulus		0.0016	0.0217	0.5
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0012	0.0134	0.3243
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0041	0.0715	1
Leishmania major	glucose transporter, lmgt3	0.0036	0.0621	0.868
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0414	1
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0026	0.0414	1
Trichomonas vaginalis	sugar transporter, putative	0.0036	0.0621	0.274
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.0022	0.0333	0.5587
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0036	0.0612	0.0597
Schistosoma mansoni	serine/threonine protein kinase	0.0036	0.0611	0.2648

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)		Inhibition of human CYP17 expressed in Escherichia coli using progesterone as substrate NADPH as cofactor	ChEMBL.	24025069
IC50 (binding)		Inhibition of human CYP11B1 using [1,2-3H]-11-deoxycorticosterone as substrate	ChEMBL.	24025069
IC50 (binding)	> 10000 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: CHEMBL2442771

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1792571