TDR Targets

Basic information

Technical information

Name: Unnamed compound
MW: 412.527 | Formula: C26H28N4O
H donors: 1 H acceptors: 2 LogP: 4.8 Rotable bonds: 7
Rule of 5 violations (Lipinski): 1
SMILES: CN(C(=O)C(C(n1cncc1)c1ccc(cc1)Nc1ccc2c(c1)cccc2)(C)C)C
InChi: 1S/C26H28N4O/c1-26(2,25(31)29(3)4)24(30-16-15-27-18-30)20-10-12-22(13-11-20)28-23-14-9-19-7-5-6-8-21(19)17-23/h5-18,24,28H,1-4H3
InChiKey: RMMKCNRVMPRUQW-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 26, 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 brucei	cytochrome P450, putative	cytochrome P450, family 26, subfamily A, polypeptide 1	497 aa	515 aa	21.9 %

Ranking Plot

Putative Targets List

Species	Potential target	Raw	Global	Species
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Brugia malayi	lysyl-tRNA synthetase	0.0024	0.0399	0.1769
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Giardia lamblia	Hexose transporter	0.0015	0.0201	0.346
Trypanosoma cruzi	glucose transporter, putative	0.0015	0.0201	0.2011
Plasmodium falciparum	lysine--tRNA ligase	0.0024	0.0399	0.0399
Plasmodium vivax	calcium-dependent protein kinase, putative	0.0033	0.0597	0.0597
Schistosoma mansoni	protein kinase	0.0033	0.0597	0.2648
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Entamoeba histolytica	protein kinase, putative	0.0033	0.0597	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0701	0.6998
Brugia malayi	hypothetical protein	0.0033	0.0599	0.2657
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0894
Mycobacterium leprae	Possible lysyl-tRNA synthetase 2 LysX	0.0024	0.0399	0.6849
Schistosoma mansoni	glucose transport protein	0.0106	0.2253	1
Giardia lamblia	Lysyl-tRNA synthetase	0.0024	0.0399	0.6849
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Leishmania major	glucose transporter/membrane transporter D2, putative	0.0033	0.0606	0.536
Onchocerca volvulus		0.0015	0.0201	0.5
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0582	0.2583
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.1131	1
Echinococcus granulosus	calcium dependent protein kinase	0.0031	0.0552	0.2448
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.2648
Leishmania major	protein kinase, putative	0.0033	0.0597	0.5278
Schistosoma mansoni	glucose transport protein	0.0106	0.2253	1
Loa Loa (eye worm)	sugar transporter	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0882	0.3912
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Toxoplasma gondii	protein kinase, putative	0.03	0.6612	1
Brugia malayi	GTP-binding regulatory protein Gs alpha-S chain, putative	0.0045	0.0882	0.3912
Plasmodium vivax	proline--tRNA ligase, putative	0.0037	0.0701	0.0701
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Loa Loa (eye worm)	sugar transporter	0.0106	0.2253	1
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.2648
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.1001	1
Onchocerca volvulus		0.0015	0.0201	0.5
Plasmodium vivax	ataxin-2 like protein, putative	0.0051	0.1001	0.1001
Trichomonas vaginalis	sugar transport protein, putative	0.0015	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 4	0.0033	0.0597	0.0597
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Brugia malayi	Cam kinase protein 1	0.0033	0.0597	0.2648
Schistosoma mansoni	3-hydroxyacyl-CoA dehydrogenase	0.0056	0.1131	0.5018
Schistosoma mansoni	protein kinase	0.0033	0.0597	0.2648
Leishmania major	glucose transporter, lmgt2	0.0033	0.0606	0.536
Trypanosoma brucei	calcium/calmodulin-dependent protein kinase, putative	0.0033	0.0597	0.596
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.6054
Echinococcus granulosus	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Schistosoma mansoni	serine/threonine protein kinase	0.0033	0.0597	0.2648
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.6054
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.6054
Mycobacterium ulcerans	short-chain type dehydrogenase/reductase	0.0056	0.1131	1
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0024	0.0399	0.1769
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Toxoplasma gondii	transporter, major facilitator family protein	0.0015	0.0201	0.0305
Plasmodium falciparum	calcium-dependent protein kinase 1	0.0033	0.0597	0.0597
Plasmodium vivax	calcium-dependent protein kinase 3, putative	0.0033	0.0597	0.0597
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Leishmania major	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.1781
Schistosoma mansoni	hypothetical protein	0.0106	0.2253	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	Sugar transporter family protein	0.0106	0.2253	1
Chlamydia trachomatis	proline--tRNA ligase	0.0011	0.0119	0.2978
Plasmodium vivax	calcium-dependent protein kinase 4, putative	0.0033	0.0597	0.0597
Chlamydia trachomatis	lysine--tRNA ligase	0.0024	0.0399	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0882	0.3912
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.1001	0.1001
Plasmodium vivax	hexose transporter	0.0106	0.2253	0.2253
Plasmodium falciparum	calcium-dependent protein kinase 5	0.0033	0.0597	0.0597
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0894
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Entamoeba histolytica	prolyl-tRNA synthetase, putative	0.0032	0.0582	0.9752
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Trypanosoma brucei	sugar transporter, putative	0.0015	0.0201	0.2011
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Plasmodium falciparum	major facilitator superfamily domain-containing protein, putative	0.0015	0.0201	0.0201
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0882	0.3912
Brugia malayi	hypothetical protein	0.0015	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST2	0.0015	0.0201	0.0305
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	0.6196
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Plasmodium falciparum	ataxin-2 like protein, putative	0.0051	0.1001	0.1001
Schistosoma mansoni	glucose transport protein	0.0106	0.2253	1
Echinococcus granulosus	guanine nucleotide binding protein Gs subunit	0.0045	0.0882	0.3912
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0882	0.3912
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.6054
Mycobacterium ulcerans	sugar transporter	0.0015	0.0201	0.1781
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 2 LysX	0.002	0.0318	0.2815
Mycobacterium leprae	Probable lysyl-tRNA synthase LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	0.5469
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Brugia malayi	bifunctional aminoacyl-tRNA synthetase	0.0032	0.0582	0.2583
Echinococcus granulosus	lysyl tRNA synthetase	0.0024	0.0399	0.1769
Toxoplasma gondii	calcium-dependent protein kinase CDPK2A	0.0033	0.0597	0.0903
Trypanosoma brucei	bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	0.6998
Schistosoma mansoni	protein kinase	0.0033	0.0597	0.2648
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST3	0.0015	0.0201	0.0305
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Toxoplasma gondii	LsmAD domain-containing protein	0.0051	0.1001	0.1514
Toxoplasma gondii	calcium-dependent protein kinase CDPK3	0.0033	0.0597	0.0903
Trypanosoma cruzi	sugar transporter, putative	0.0015	0.0201	0.2011
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	myo-inositol transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	3-hydroxyacyl-CoA dehydrogenase type II	0.0052	0.1046	0.464
Plasmodium vivax	sugar transporter, putative	0.0015	0.0201	0.0201
Echinococcus granulosus	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0582	0.2583
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium vivax	calcium-dependent protein kinase 1, putative	0.0033	0.0597	0.0597
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 22	0.0015	0.0201	0.0894
Trypanosoma cruzi	hexose transporter	0.0033	0.0606	0.6054
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0033	0.0597	0.2648
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0399	0.1769
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Leishmania major	hypothetical protein, conserved	0.0051	0.1001	0.8855
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus multilocularis	Ataxin 2, N terminal,domain containing protein	0.0023	0.0375	0.1664
Echinococcus granulosus	Sugar transporter ERD6 protein	0.0015	0.0201	0.0894
Plasmodium falciparum	hexose transporter	0.0106	0.2253	0.2253
Trypanosoma brucei	glucose transporter 1E	0.0033	0.0606	0.6054
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.6054
Onchocerca volvulus		0.0015	0.0201	0.5
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Plasmodium vivax	lysine--tRNA ligase, putative	0.0024	0.0399	0.0399
Trypanosoma brucei	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.3981
Loa Loa (eye worm)	calcium/calmodulin-dependent protein kinase ID	0.0033	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Leishmania major	glucose transporter, lmgt3	0.0033	0.0606	0.536
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 3	0.0033	0.0597	0.0597
Entamoeba histolytica	hypothetical protein	0.0024	0.0399	0.6679
Brugia malayi	Bifunctional aminoacyl-tRNA synthetase	0.0032	0.0582	0.2583
Brugia malayi	Major Facilitator Superfamily protein	0.0015	0.0201	0.0894
Toxoplasma gondii	sugar transporter ST1	0.0015	0.0201	0.0305
Trypanosoma cruzi	hexose transporter, putative	0.0033	0.0606	0.6054
Toxoplasma gondii	calcium-dependent protein kinase CDPK2B	0.0033	0.0597	0.0903
Mycobacterium leprae	Probable prolyl tRNA synthetase ProS	0.0032	0.0582	1
Loa Loa (eye worm)	hypothetical protein	0.0051	0.1001	0.4444
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.1769
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	synaptic vesicle 2 protein	0.0015	0.0201	0.0894
Plasmodium falciparum	protein kinase 7	0.03	0.6612	0.6612
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.2648
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0033	0.0606	0.269
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0582	0.2583
Trypanosoma cruzi	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.3981
Mycobacterium ulcerans	integral membrane transport protein	0.0015	0.0201	0.1781
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.2648
Leishmania major	lysyl-tRNA synthetase, putative	0.0024	0.0399	0.3525
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Treponema pallidum	prolyl-tRNA synthetase	0.0011	0.0119	1
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Plasmodium vivax	mitogen-activated protein kinase 2, putative	0.0172	0.3724	0.3724
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.6054
Brugia malayi	3-hydroxyacyl-CoA dehydrogenase type II	0.0056	0.1131	0.5018
Mycobacterium ulcerans	prolyl-tRNA synthetase	0.0011	0.0119	0.105
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type 1	0.0033	0.0597	0.2648
Onchocerca volvulus		0.0015	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	lysyl-tRNA synthetase, putative	0.0021	0.0333	0.1477
Toxoplasma gondii	lysine-tRNA ligase	0.0024	0.0399	0.0603
Echinococcus multilocularis	General substrate transporter	0.0091	0.1918	0.851
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Brugia malayi	Calcium/calmodulin-dependent protein kinase type II alpha chain	0.0033	0.0597	0.2648
Giardia lamblia	Prolyl-tRNA synthetase	0.0032	0.0582	1
Trypanosoma cruzi	prolyl-tRNA synthetase, putative	0.0037	0.0701	0.6998
Brugia malayi	hypothetical protein	0.0051	0.1001	0.4444
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trypanosoma brucei	PAB1-binding protein , putative	0.0051	0.1001	1
Trichomonas vaginalis	prolyl-tRNA synthetase, putative	0.0032	0.0582	0.2583
Trypanosoma cruzi	hexose transporter, putative	0.0018	0.027	0.2701
Trypanosoma cruzi	hexose transporter, putative	0.0015	0.0201	0.2011
Schistosoma mansoni	hypothetical protein	0.0023	0.0375	0.1664
Trypanosoma brucei	glucose transporter 2A	0.0033	0.0606	0.6054
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Leishmania major	3-oxoacyl-(acyl-carrier protein) reductase, putative	0.0056	0.1131	1
Echinococcus multilocularis	calcium dependent protein kinase	0.0031	0.0552	0.2448
Brugia malayi	Sugar transporter family protein	0.0015	0.0201	0.0894
Plasmodium falciparum	calcium-dependent protein kinase 2	0.0033	0.0597	0.0597
Onchocerca volvulus		0.0015	0.0201	0.5
Plasmodium falciparum	mitogen-activated protein kinase 2	0.0172	0.3724	0.3724
Onchocerca volvulus		0.0015	0.0201	0.5
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.2648
Echinococcus multilocularis	guanine nucleotide binding protein G(s) subunit	0.0045	0.0882	0.3912
Trypanosoma cruzi	PAB1-binding protein , putative	0.0051	0.1001	1
Toxoplasma gondii	facilitative glucose transporter GT1	0.0106	0.2253	0.3408
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0399	0.3525
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Trichomonas vaginalis	CAMK family protein kinase	0.0033	0.0597	0.2648
Schistosoma mansoni	lysyl-tRNA synthetase	0.0024	0.0399	0.1769
Echinococcus granulosus	Ataxin 2 N terminaldomain containing protein	0.0023	0.0375	0.1664
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Giardia lamblia	Sugar-proton symporter	0.0015	0.0201	0.346
Schistosoma mansoni	glucose transporter	0.0015	0.0201	0.0894
Echinococcus multilocularis	lysyl tRNA synthetase	0.0024	0.0399	0.1769
Toxoplasma gondii	cell-cycle-associated protein kinase MAPK, putative	0.0172	0.3724	0.5632
Echinococcus granulosus	synaptic vesicle 2 protein	0.0015	0.0201	0.0894
Loa Loa (eye worm)	CAMK/CAMK2 protein kinase	0.0033	0.0597	0.2648
Echinococcus granulosus	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.2648
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Probable dicarboxylic acid transport integral membrane protein KgtP (dicarboxylate transporter)	0.0015	0.0201	0.1781
Leishmania major	prolyl-tRNA synthetase, putative,bifunctional aminoacyl-tRNA synthetase, putative	0.0037	0.0701	0.6196
Mycobacterium tuberculosis	Lysyl-tRNA synthetase 1 LysS (lysine--tRNA ligase 1) (LysRS 1) (lysine translase)	0.002	0.0318	0.2815
Trichomonas vaginalis	glucose transporter, putative	0.0033	0.0606	0.269
Wolbachia endosymbiont of Brugia malayi	major facilitator superfamily permease	0.0015	0.0201	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Echinococcus multilocularis	solute carrier family 2 facilitated glucose	0.0106	0.2253	1
Schistosoma mansoni	nuclear transcription factor X-box binding 1 (nfx1)	0.0015	0.0201	0.0894
Mycobacterium ulcerans	fusion protein of transposase for IS2606 and sialic acid-transport integral membrane protein NanT	0.0015	0.0201	0.1781
Echinococcus granulosus	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.1131	0.5018
Plasmodium vivax	CDK-related protein kinase 6, putative	0.0451	1	1
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Leishmania major	hypothetical protein, conserved	0.0015	0.0201	0.1781
Echinococcus multilocularis	solute carrier family 2, facilitated glucose	0.0106	0.2253	1
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Echinococcus granulosus	General substrate transporter	0.0091	0.1918	0.851
Plasmodium falciparum	proline--tRNA ligase	0.0037	0.0701	0.0701
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Probable conserved integral membrane transport protein	0.0015	0.0201	0.1781
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Brugia malayi	major facilitator superfamily protein	0.0015	0.0201	0.0894
Mycobacterium ulcerans	sugar-transport integral membrane protein SugI	0.0015	0.0201	0.1781
Trichomonas vaginalis	conserved hypothetical protein	0.0106	0.2253	1
Leishmania major	glucose transporter, lmgt1	0.0033	0.0606	0.536
Schistosoma mansoni	glutamyl-tRNA synthetase cytoplasmic (glutamate--tRNA ligase) (glurs)	0.0032	0.0582	0.2583
Onchocerca volvulus		0.0015	0.0201	0.5
Toxoplasma gondii	prolyl-tRNA synthetase (ProRS)	0.0037	0.0701	0.106
Mycobacterium ulcerans	lysyl-tRNA synthetase	0.0024	0.0399	0.3525
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Schistosoma mansoni	Guanine nucleotide-binding protein G(s) subunit alpha (Adenylate cyclase-stimulating G alpha protein)	0.0045	0.0882	0.3912
Loa Loa (eye worm)	GTP-binding regulatory protein Gs alpha-S chain	0.0045	0.0882	0.3912
Loa Loa (eye worm)	hypothetical protein	0.0026	0.0448	0.1987
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.6054
Onchocerca volvulus		0.0015	0.0201	0.5
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.6054
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.6054
Loa Loa (eye worm)	bifunctional aminoacyl-tRNA synthetase	0.0013	0.016	0.0709
Onchocerca volvulus		0.0015	0.0201	0.5
Loa Loa (eye worm)	major facilitator superfamily transporter	0.0015	0.0201	0.0894
Echinococcus granulosus	solute carrier family 22	0.0015	0.0201	0.0894
Echinococcus multilocularis	glutamyl tRNA synthetase cytoplasmic	0.0032	0.0582	0.2583
Echinococcus multilocularis	calcium:calmodulin dependent protein kinase type	0.0033	0.0597	0.2648
Entamoeba histolytica	protein kinase, putative	0.0033	0.0597	1
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Trichomonas vaginalis	glucose transporter, putative	0.0015	0.0201	0.0894
Echinococcus multilocularis	Sugar transporter ERD6 protein	0.0015	0.0201	0.0894
Trypanosoma brucei	THT1 - hexose transporter, putative	0.0033	0.0606	0.6054
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.6054
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.6054
Trichomonas vaginalis	conserved hypothetical protein	0.0015	0.0201	0.0894
Schistosoma mansoni	sugar transporter	0.0015	0.0201	0.0894
Mycobacterium tuberculosis	Probable short-chain type dehydrogenase/reductase	0.0056	0.1131	1
Onchocerca volvulus	Putative transporter	0.0015	0.0201	0.5
Trypanosoma brucei	glucose transporter, putative	0.0033	0.0606	0.6054
Trichomonas vaginalis	conserved hypothetical protein	0.0033	0.0606	0.269
Loa Loa (eye worm)	hypothetical protein	0.0015	0.0201	0.0894
Onchocerca volvulus		0.0015	0.0201	0.5
Trypanosoma brucei	myo-inositol/proton symporter (MIT)	0.0015	0.0201	0.2011
Trichomonas vaginalis	sugar transporter, putative	0.0015	0.0201	0.0894
Echinococcus multilocularis	3 hydroxyacyl coenzyme A dehydrogenase type 2	0.0056	0.1131	0.5018
Loa Loa (eye worm)	hypothetical protein	0.0032	0.0582	0.2583

Activities

Activity type	Activity value	Assay description	Source	Reference
IC50 (binding)	= 75 nM	Inhibition of human CYP26A1 assessed using [11,12-3H]ATRA as substrate by scintillation counting	ChEMBL.	21838328
Inhibition (ADMET)	= 11 %	Inhibition of CYP1A2 in human liver microsomes at 0.4 uM	ChEMBL.	21838328
Inhibition (ADMET)	= 21 %	Inhibition of CYP2C19 in human liver microsomes at 0.4 uM	ChEMBL.	21838328
Inhibition (ADMET)	= 29 %	Inhibition of CYP2D6 in human liver microsomes at 0.4 uM	ChEMBL.	21838328
Inhibition (ADMET)	= 52 %	Inhibition of CYP2C9 in human liver microsomes at 0.4 uM	ChEMBL.	21838328
Inhibition (ADMET)	= 95 %	Inhibition of CYP3A4 in human liver microsomes at 0.4 uM	ChEMBL.	21838328

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: CHEMBL1831090

Bibliographic References

1 literature reference was collected for this gene.

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Detailed information for compound 1109477